4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3-chlorophenyl)methyl]-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(3-chlorobenzyl)-N-(3,4-dimethoxyphenyl)piperazin-4-ium-1-carboxamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)Cl)OC

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-7-6-17(13-19(18)27-2)22-20(25)24-10-8-23(9-11-24)14-15-4-3-5-16(21)12-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1