2-(4-phenylpiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide

Systemtic Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamide Openeye Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide CAS Name: 2-(4-phenyl-1-piperazin-1-iumyl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide IUPAC Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-phenylpiperazin-1-ium-1-yl)-N-(3,4,5-trimethoxybenzyl)acetamide Formula: C22H30N3O4+ MolecularWeight: 400.4913

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C22H29N3O4/c1-27-19-13-17(14-20(28-2)22(19)29-3)15-23-21(26)16-24-9-11-25(12-10-24)18-7-5-4-6-8-18/h4-8,13-14H,9-12,15-16H2,1-3H3,(H,23,26)/p+1