N-[(6-methoxypyridin-3-yl)methyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-[(6-methoxypyridin-3-yl)methyl]-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(6-methoxy-3-pyridyl)methyl]acetamide CAS Name: N-[(6-methoxy-3-pyridinyl)methyl]-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(6-methoxypyridin-3-yl)methyl]acetamide Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-N-[(6-methoxy-3-pyridyl)methyl]acetamide Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-26-20-8-7-18(14-22-20)13-21-19(25)16-24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,14H,9-13,15-16H2,1H3,(H,21,25)/p+1