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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(2-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-(2-methoxycarbonylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-(2-methoxycarbonylanilino)-2-oxoethyl]-methylazanium Traditional Name: [2-(2-carbomethoxyanilino)-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C23H27N4O3+ MolecularWeight: 407.48548

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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=C3C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C23H26N4O3/c1-16-20(17(2)27(25-16)18-10-6-5-7-11-18)14-26(3)15-22(28)24-21-13-9-8-12-19(21)23(29)30-4/h5-13H,14-15H2,1-4H3,(H,24,28)/p+1