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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]azanium Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[(1R)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]ammonium Formula: C28H31N4O2+ MolecularWeight: 455.57134

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H30N4O2/c1-19-15-16-26(34-4)25(17-19)30-28(33)27(22-11-7-5-8-12-22)29-18-24-20(2)31-32(21(24)3)23-13-9-6-10-14-23/h5-17,27,29H,18H2,1-4H3,(H,30,33)/p+1/t27-/m1/s1