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

Systemtic Name: N-(2,3-dimethylphenyl)-2-[4-(6-methylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[(6-methyl-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(6-methylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-[4-(6-methylnicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C21H27N4O2+ MolecularWeight: 367.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2/c1-15-5-4-6-19(17(15)3)23-20(26)14-24-9-11-25(12-10-24)21(27)18-8-7-16(2)22-13-18/h4-8,13H,9-12,14H2,1-3H3,(H,23,26)/p+1