(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(1R)-2-(4-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-keto-1-phenyl-2-(p-toluidino)ethyl]ammonium Formula: C27H29N4O+ MolecularWeight: 425.54536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC3=C(N(N=C3C)C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@@H](C2=CC=CC=C2)[NH2+]CC3=C(N(N=C3C)C4=CC=CC=C4)C

InChI

InChI=1S/C27H28N4O/c1-19-14-16-23(17-15-19)29-27(32)26(22-10-6-4-7-11-22)28-18-25-20(2)30-31(21(25)3)24-12-8-5-9-13-24/h4-17,26,28H,18H2,1-3H3,(H,29,32)/p+1/t26-/m1/s1