N-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-(3,4-dimethoxyphenyl)acetamide Formula: C21H29N3O3+2 MolecularWeight: 371.47326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CC[NH+](CC2)CC3=CC=CC=C3)OC

InChI

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