N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[1-(2-azanyl-2-oxidanylidene-ethyl)piperidin-1-ium-4-yl]-3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[1-(2-amino-2-oxo-ethyl)piperidin-1-ium-4-yl]-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: N-[1-(2-amino-2-oxoethyl)-4-piperidin-1-iumyl]-3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[1-(2-amino-2-oxoethyl)piperidin-1-ium-4-yl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-[1-(2-amino-2-keto-ethyl)piperidin-1-ium-4-yl]-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C24H28N5O2+ MolecularWeight: 418.51142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC3CC[NH+](CC3)CC(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-17-7-9-18(10-8-17)23-21(15-29(27-23)20-5-3-2-4-6-20)24(31)26-19-11-13-28(14-12-19)16-22(25)30/h2-10,15,19H,11-14,16H2,1H3,(H2,25,30)(H,26,31)/p+1