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

Systemtic Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Openeye Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium CAS Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl-methyl-(4-thiazolylmethyl)ammonium IUPAC Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl-methyl-(1,3-thiazol-4-ylmethyl)azanium Traditional Name: [4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl-methyl-(thiazol-4-ylmethyl)ammonium Formula: C22H24N5O3S+ MolecularWeight: 438.52266

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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[NH+](C)CC4=CSC=N4

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=O)N(C3=CC=CC=C32)C)C[NH+](C)CC4=CSC=N4

InChI

InChI=1S/C22H23N5O3S/c1-4-30-22(29)17-10-24-27(20(17)12-25(2)11-15-13-31-14-23-15)19-9-21(28)26(3)18-8-6-5-7-16(18)19/h5-10,13-14H,4,11-12H2,1-3H3/p+1