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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)NC(=O)C[NH+]2CCN(CC2)CC3=CC=CC=C3

InChI

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