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

Systemtic Name: N-[(3-methoxyphenyl)methyl]-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide CAS Name: N-[(3-methoxyphenyl)methyl]-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]acetamide IUPAC Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide Traditional Name: 2-(4-benzylpiperazine-1,4-diium-1-yl)-N-m-anisyl-acetamide Formula: C21H29N3O2+2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-26-20-9-5-8-19(14-20)15-22-21(25)17-24-12-10-23(11-13-24)16-18-6-3-2-4-7-18/h2-9,14H,10-13,15-17H2,1H3,(H,22,25)/p+2