[4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl-(2-imidazol-1-ylethyl)azanium

Systemtic Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl-(2-imidazol-1-ylethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl-(2-imidazol-1-ylethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl-[2-(1-imidazolyl)ethyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl-(2-imidazol-1-ylethyl)azanium Traditional Name: [4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl-(2-imidazol-1-ylethyl)ammonium Formula: C22H25N6O3+ MolecularWeight: 421.4723

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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+]CCN4C=CN=C4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH2+]CCN4C=CN=C4

InChI

InChI=1S/C22H24N6O3/c1-3-31-22(30)17-13-25-28(20(17)14-23-8-10-27-11-9-24-15-27)19-12-21(29)26(2)18-7-5-4-6-16(18)19/h4-7,9,11-13,15,23H,3,8,10,14H2,1-2H3/p+1