1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(3-chlorophenyl)-2-propenoyl]piperazin-1-ium

SpectraBase Compound ID	F4DNpitQFhS
InChI	InChI=1S/C21H21ClN2O3/c22-18-3-1-2-16(12-18)5-7-21(25)24-10-8-23(9-11-24)14-17-4-6-19-20(13-17)27-15-26-19/h1-7,12-13H,8-11,14-15H2/p+1/b7-5+
InChIKey	MZZGFYVLFKTCEO-FNORWQNLSA-O Google Search
Mol Weight	385.87 g/mol
Molecular Formula	C21H22ClN2O3
Exact Mass	385.131895 g/mol

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SpectraBase Spectrum ID	FcBCWxWzy5L
Name	1-(1,3-benzodioxol-5-ylmethyl)-4-[(2E)-3-(3-chlorophenyl)-2-propenoyl]piperazin-1-ium
Author	A.V.Yarkov, IPAC, Russia
Copyright	Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI	InChI=1S/C21H21ClN2O3/c22-18-3-1-2-16(12-18)5-7-21(25)24-10-8-23(9-11-24)14-17-4-6-19-20(13-17)27-15-26-19/h1-7,12-13H,8-11,14-15H2/p+1/b7-5+
InChIKey	MZZGFYVLFKTCEO-FNORWQNLSA-O
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI_21270_17250
Owner	Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State	soluted
Solvent	DMSO-d6
Source File Reference	VendorID: UZI/9048818; UBI_ID: UBI-017253
Synonyms	1-(1,3-benzodioxol-5-ylmethyl)-4-[3-(3-chlorophenyl)-2-propenoyl]piperazin-1-ium
Temperature	318 °C