methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[(2-propan-2-ylphenyl)amino]ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-isopropylanilino)-2-oxo-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium CAS Name: methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[(1-phenyl-4-pyrazolyl)methyl]ammonium IUPAC Name: methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[(1-phenylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-isopropylanilino)-2-keto-ethyl]-methyl-[(1-phenylpyrazol-4-yl)methyl]ammonium Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1=CC=CC=C1NC(=O)C[NH+](C)CC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4O/c1-17(2)20-11-7-8-12-21(20)24-22(27)16-25(3)14-18-13-23-26(15-18)19-9-5-4-6-10-19/h4-13,15,17H,14,16H2,1-3H3,(H,24,27)/p+1