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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxo-ethyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl]-methylazanium Traditional Name: [2-[(4-carbomethoxybenzyl)amino]-2-keto-ethyl]-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C24H29N4O3+ MolecularWeight: 421.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+](C)CC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C24H28N4O3/c1-17-22(18(2)28(26-17)21-8-6-5-7-9-21)15-27(3)16-23(29)25-14-19-10-12-20(13-11-19)24(30)31-4/h5-13H,14-16H2,1-4H3,(H,25,29)/p+1