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1-[2-(m-Chloroanilino)ethyl]-4-[2-(dimethylamino)ethoxy]-4-phenylpiperidine, cyclohexylsulfamate

View entire compound with spectra: 1 NMR, and 1 FTIR

1-[2-(m-Chloroanilino)ethyl]-4-[2-(dimethylamino)ethoxy]-4-phenylpiperidine, cyclohexylsulfamate
SpectraBase Compound ID 9EYWbpaA0gh
InChI InChI=1S/C23H32ClN3O.2C6H13NO3S/c1-26(2)17-18-28-23(20-7-4-3-5-8-20)11-14-27(15-12-23)16-13-25-22-10-6-9-21(24)19-22;2*8-11(9,10)7-6-4-2-1-3-5-6/h3-10,19,25H,11-18H2,1-2H3;2*6-7H,1-5H2,(H,8,9,10)
InChIKey ZDICCRIQHWNTMP-UHFFFAOYSA-N
Mol Weight 760.45 g/mol
Molecular Formula C35H58ClN5O7S2
Exact Mass 759.346619 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1SciGGIr6pu
Name 1-[2-(m-Chloroanilino)ethyl]-4-[2-(dimethylamino)ethoxy]-4-phenylpiperidine, cyclohexylsulfamate
Comments Computed using HOSE algorithm
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Exact Mass 759.346619269 u
Formula C35H58ClN5O7S2
InChI InChI=1S/C23H32ClN3O.2C6H13NO3S/c1-26(2)17-18-28-23(20-7-4-3-5-8-20)11-14-27(15-12-23)16-13-25-22-10-6-9-21(24)19-22;2*8-11(9,10)7-6-4-2-1-3-5-6/h3-10,19,25H,11-18H2,1-2H3;2*6-7H,1-5H2,(H,8,9,10)
InChIKey ZDICCRIQHWNTMP-UHFFFAOYSA-N
SMILES N(C=1C=C(C=CC1)Cl)CCN1CCC(CC1)(C1=CC=CC=C1)OCCN(C)C.N(C1CCCCC1)S(=O)(=O)O.N(C1CCCCC1)S(=O)(=O)O