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

Systemtic Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-[(1S)-1-phenylethyl]azanium Openeye Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-oxo-ethyl]-methyl-[(1S)-1-phenylethyl]ammonium CAS Name: [2-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)amino]-2-oxoethyl]-methyl-[(1S)-1-phenylethyl]ammonium IUPAC Name: [2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl]-methyl-[(1S)-1-phenylethyl]azanium Traditional Name: [2-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)amino]-2-keto-ethyl]-methyl-[(1S)-1-phenylethyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)C(C)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)NC(=O)C[NH+](C)[C@@H](C)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-16-22(18(3)26(24-16)20-13-9-6-10-14-20)23-21(27)15-25(4)17(2)19-11-7-5-8-12-19/h5-14,17H,15H2,1-4H3,(H,23,27)/p+1/t17-/m0/s1