(1,5-dimethylpyrazol-4-yl)methyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium

Systemtic Name: (1,5-dimethylpyrazol-4-yl)methyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl]azanium Openeye Name: (1,5-dimethylpyrazol-4-yl)methyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl]ammonium CAS Name: (1,5-dimethyl-4-pyrazolyl)methyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl]ammonium IUPAC Name: (1,5-dimethylpyrazol-4-yl)methyl-[[4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl]azanium Traditional Name: [4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl-[(1,5-dimethylpyrazol-4-yl)methyl]ammonium Formula: C23H27N6O3+ MolecularWeight: 435.49888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CC4=C(N(N=C4)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CC4=C(N(N=C4)C)C

InChI

InChI=1S/C23H26N6O3/c1-5-32-23(31)18-13-26-29(21(18)14-24-11-16-12-25-28(4)15(16)2)20-10-22(30)27(3)19-9-7-6-8-17(19)20/h6-10,12-13,24H,5,11,14H2,1-4H3/p+1