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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(3-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(3-acetylanilino)-2-oxo-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium CAS Name: [2-(3-acetylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-methylammonium IUPAC Name: [2-(3-acetylanilino)-2-oxoethyl]-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-methylazanium Traditional Name: [2-(3-acetylanilino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C23H27N4O2+ MolecularWeight: 391.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C23H26N4O2/c1-16-22(17(2)27(25-16)21-11-6-5-7-12-21)14-26(4)15-23(29)24-20-10-8-9-19(13-20)18(3)28/h5-13H,14-15H2,1-4H3,(H,24,29)/p+1