N-(4-methylphenyl)-2-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: 2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[4-[(6-methyl-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-methylphenyl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: 2-[4-(6-methylnicotinoyl)piperazin-1-ium-1-yl]-N-(p-tolyl)acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)C

InChI

InChI=1S/C20H24N4O2/c1-15-3-7-18(8-4-15)22-19(25)14-23-9-11-24(12-10-23)20(26)17-6-5-16(2)21-13-17/h3-8,13H,9-12,14H2,1-2H3,(H,22,25)/p+1