For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-(Cyclohexylamino)-2-phenyl-3-(piperidin-1-yl)-2H-imidazo[5,1-a]isoquinolinium Chloride
SpectraBase Compound ID rr6kJonDJu
InChI InChI=1S/C28H33N4.ClH/c1-4-13-23(14-5-1)29-27-26-25-17-9-8-12-22(25)18-21-31(26)28(30-19-10-3-11-20-30)32(27)24-15-6-2-7-16-24;/h2,6-9,12,15-18,21,23,29H,1,3-5,10-11,13-14,19-20H2;1H/q+1;/p-1
InChIKey OZTQALRJYHMVNV-UHFFFAOYSA-M
Mol Weight 461.05 g/mol
Molecular Formula C28H33ClN4
Exact Mass 460.239375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID DeJ0MwltE0y
Name 1-(Cyclohexylamino)-2-phenyl-3-(piperidin-1-yl)-2H-imidazo[5,1-a]isoquinolinium Chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H33ClN4
InChI InChI=1S/C28H33N4.ClH/c1-4-13-23(14-5-1)29-27-26-25-17-9-8-12-22(25)18-21-31(26)28(30-19-10-3-11-20-30)32(27)24-15-6-2-7-16-24;/h2,6-9,12,15-18,21,23,29H,1,3-5,10-11,13-14,19-20H2;1H/q+1;/p-1
InChIKey OZTQALRJYHMVNV-UHFFFAOYSA-M
Literature Reference DOI 10.1002/hlca.200900216
Molecular Weight 461.053 g/mol
SMILES N(c1[n](-c2ccccc2)c([n+]2c1c1ccccc1cc2)N1CCCCC1)C1CCCCC1.[Cl-]
SPLASH splash10-057k-5936000000-38f992fbc59d4f22188b
Source of Spectrum H-93-75-4f
Synonyms 1-(cyclohexylamino)-2-phenyl-3-(piperidin-1-yl)-2H-imidazo[5,1-a]isoquinolin-4-ium chloride
Wiley ID 1785785