methyl-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-[(2-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: methyl-[(1S)-1-methyl-2-(2-methylanilino)-2-oxo-ethyl]-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-2-keto-1-methyl-2-(o-toluidino)ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H25N4O+ MolecularWeight: 349.4494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)[C@H](C)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H24N4O/c1-16-9-7-8-12-20(16)23-21(26)17(2)24(3)14-18-13-22-25(15-18)19-10-5-4-6-11-19/h4-13,15,17H,14H2,1-3H3,(H,23,26)/p+1/t17-/m0/s1