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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(p-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(p-tolyl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O3/c1-16-4-7-18(8-5-16)22-21(25)24-12-10-23(11-13-24)15-17-6-9-19(26-2)20(14-17)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1