[(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: [(1R)-2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1R)-2-(2-methoxy-5-methyl-anilino)-2-oxo-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(1R)-2-(2-methoxy-5-methylanilino)-2-oxo-1-phenylethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1R)-2-keto-2-(2-methoxy-5-methyl-anilino)-1-phenyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)[C@@H](C2=CC=CC=C2)[NH+](C)CC3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H28N4O2/c1-20-14-15-25(33-3)24(16-20)29-27(32)26(22-10-6-4-7-11-22)30(2)18-21-17-28-31(19-21)23-12-8-5-9-13-23/h4-17,19,26H,18H2,1-3H3,(H,29,32)/p+1/t26-/m1/s1