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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-veratryl-acetamide Formula: C22H31N3O3+2 MolecularWeight: 385.49984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O3/c1-27-20-9-8-19(14-21(20)28-2)15-23-22(26)17-25-12-10-24(11-13-25)16-18-6-4-3-5-7-18/h3-9,14H,10-13,15-17H2,1-2H3,(H,23,26)/p+2