[4-(3-carboxy-1-ethyl-4-oxidanylidene-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]-dimethyl-azanium

Systemtic Name: [4-(3-carboxy-1-ethyl-4-oxidanylidene-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]-dimethyl-azanium Openeye Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)thiazol-2-yl]-dimethyl-ammonium CAS Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)-2-thiazolyl]-dimethylammonium IUPAC Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]-dimethylazanium Traditional Name: [4-(3-carboxy-1-ethyl-4-keto-1H-quinolin-1-ium-7-yl)thiazol-2-yl]-dimethyl-ammonium Formula: C17H19N3O3S+2 MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH+](C)C)C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH+](C)C)C(=O)O

InChI

InChI=1S/C17H17N3O3S/c1-4-20-8-12(16(22)23)15(21)11-6-5-10(7-14(11)20)13-9-24-17(18-13)19(2)3/h5-9H,4H2,1-3H3,(H,22,23)/p+2