N-(2-ethylphenyl)-2-[4-(6-pyrazol-1-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-(6-pyrazol-1-ylpyridin-3-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-(6-pyrazol-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[oxo-[6-(1-pyrazolyl)-3-pyridinyl]methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-(6-pyrazol-1-ylpyridine-3-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-(6-pyrazol-1-ylnicotinoyl)piperazin-1-ium-1-yl]acetamide Formula: C23H27N6O2+ MolecularWeight: 419.49948

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C23H26N6O2/c1-2-18-6-3-4-7-20(18)26-22(30)17-27-12-14-28(15-13-27)23(31)19-8-9-21(24-16-19)29-11-5-10-25-29/h3-11,16H,2,12-15,17H2,1H3,(H,26,30)/p+1