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

Systemtic Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxidanylidene-quinolin-4-yl)pyrazol-3-yl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Openeye Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolyl)pyrazol-3-yl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium CAS Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxo-4-quinolinyl)-3-pyrazolyl]methyl-methyl-[(2-methyl-4-thiazolyl)methyl]ammonium IUPAC Name: [4-ethoxycarbonyl-2-(1-methyl-2-oxoquinolin-4-yl)pyrazol-3-yl]methyl-methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]azanium Traditional Name: [4-carbethoxy-2-(2-keto-1-methyl-4-quinolyl)pyrazol-3-yl]methyl-methyl-[(2-methylthiazol-4-yl)methyl]ammonium Formula: C23H26N5O3S+ MolecularWeight: 452.54924

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O3S/c1-5-31-23(30)18-11-24-28(21(18)13-26(3)12-16-14-32-15(2)25-16)20-10-22(29)27(4)19-9-7-6-8-17(19)20/h6-11,14H,5,12-13H2,1-4H3/p+1