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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3/c1-26-19-9-8-18(14-20(19)27-2)15-22-21(25)24-12-10-23(11-13-24)16-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,22,25)/p+1