N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-2-[4-[2-(4-methylphenyl)ethyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[4-[2-(4-methylphenyl)ethyl]piperidin-1-ium-1-yl]acetamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-2-[4-[2-(p-tolyl)ethyl]piperidin-1-ium-1-yl]acetamide Formula: C27H35N4O2+ MolecularWeight: 447.5924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CCC2CC[NH+](CC2)CC(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C

InChI

InChI=1S/C27H34N4O2/c1-20-9-11-22(12-10-20)13-14-23-15-17-30(18-16-23)19-25(32)28-26-21(2)29(3)31(27(26)33)24-7-5-4-6-8-24/h4-12,23H,13-19H2,1-3H3,(H,28,32)/p+1