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

Systemtic Name: [(2S)-1-[(2-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [(1S)-2-(2-cyanoanilino)-1-methyl-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [(2S)-1-(2-cyanoanilino)-1-oxopropan-2-yl]-methyl-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [(1S)-2-(2-cyanoanilino)-2-keto-1-methyl-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C21H22N5O+ MolecularWeight: 360.43228

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=CC=C1C#N)[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H21N5O/c1-16(21(27)24-20-11-7-6-8-18(20)12-22)25(2)14-17-13-23-26(15-17)19-9-4-3-5-10-19/h3-11,13,15-16H,14H2,1-2H3,(H,24,27)/p+1/t16-/m0/s1