1-[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]piperidin-1-ium-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(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC(CC3)C(=O)N)C4=CC=CC=C4

InChI

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