4-[(4-butoxyphenyl)methyl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(4-butoxyphenyl)methyl]-N-(5-chloranyl-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(4-butoxyphenyl)methyl]-N-(5-chloro-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(4-butoxyphenyl)methyl]-N-(5-chloro-2,4-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(4-butoxyphenyl)methyl]-N-(5-chloro-2,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(4-butoxybenzyl)-N-(5-chloro-2,4-dimethoxy-phenyl)piperazin-4-ium-1-carboxamide Formula: C24H33ClN3O4+ MolecularWeight: 462.98952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3OC)OC)Cl

InChI

InChI=1S/C24H32ClN3O4/c1-4-5-14-32-19-8-6-18(7-9-19)17-27-10-12-28(13-11-27)24(29)26-21-15-20(25)22(30-2)16-23(21)31-3/h6-9,15-16H,4-5,10-14,17H2,1-3H3,(H,26,29)/p+1