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

Systemtic Name: (3R)-1-[2-[[5-(4-methylphenyl)-2-phenyl-pyrazol-3-yl]amino]-2-oxidanylidene-ethyl]piperidin-1-ium-3-carboxamide Openeye Name: (3R)-1-[2-oxo-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]piperidin-1-ium-3-carboxamide CAS Name: (3R)-1-[2-[[5-(4-methylphenyl)-2-phenyl-3-pyrazolyl]amino]-2-oxoethyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3R)-1-[2-[[5-(4-methylphenyl)-2-phenylpyrazol-3-yl]amino]-2-oxoethyl]piperidin-1-ium-3-carboxamide Traditional Name: (3R)-1-[2-keto-2-[[2-phenyl-5-(p-tolyl)pyrazol-3-yl]amino]ethyl]piperidin-1-ium-3-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+]3CCCC(C3)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=C2)NC(=O)C[NH+]3CCC[C@H](C3)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C24H27N5O2/c1-17-9-11-18(12-10-17)21-14-22(29(27-21)20-7-3-2-4-8-20)26-23(30)16-28-13-5-6-19(15-28)24(25)31/h2-4,7-12,14,19H,5-6,13,15-16H2,1H3,(H2,25,31)(H,26,30)/p+1/t19-/m1/s1