N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenyl-1-piperazin-1-iumyl)acetamide IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-2-(4-phenylpiperazin-1-ium-1-yl)acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-veratryl-acetamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3)OC

InChI

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