[2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium

Systemtic Name: [2-[(2-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Openeye Name: [2-(2-acetylanilino)-2-oxo-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium CAS Name: [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(1-methyl-4-pyrazolyl)methyl]ammonium IUPAC Name: [2-(2-acetylanilino)-2-oxoethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]azanium Traditional Name: [2-(2-acetylanilino)-2-keto-ethyl]-methyl-[(1-methylpyrazol-4-yl)methyl]ammonium Formula: C16H21N4O2+ MolecularWeight: 301.36354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2/c1-12(21)14-6-4-5-7-15(14)18-16(22)11-19(2)9-13-8-17-20(3)10-13/h4-8,10H,9,11H2,1-3H3,(H,18,22)/p+1