N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-(1-piperidin-1-iumylmethyl)benzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-(piperidin-1-ium-1-ylmethyl)benzamide Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCCCC4

InChI

InChI=1S/C24H28N4O2/c1-18-22(24(30)28(26(18)2)21-9-5-3-6-10-21)25-23(29)20-13-11-19(12-14-20)17-27-15-7-4-8-16-27/h3,5-6,9-14H,4,7-8,15-17H2,1-2H3,(H,25,29)/p+1