N-(2,3-dimethylphenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(2,3-dimethylphenyl)-2-(4-pyridin-3-ylcarbonylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(2,3-dimethylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,3-dimethylphenyl)-2-[4-[oxo(3-pyridinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,3-dimethylphenyl)-2-[4-(pyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,3-dimethylphenyl)-2-(4-nicotinoylpiperazin-1-ium-1-yl)acetamide Formula: C20H25N4O2+ MolecularWeight: 353.4381

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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=CC=C3)C

Isomeric SMILES

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

InChI

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