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

Systemtic Name: [4-(3-carboxy-1-ethyl-4-oxidanylidene-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]azanium Openeye Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)thiazol-2-yl]ammonium CAS Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)-2-thiazolyl]ammonium IUPAC Name: [4-(3-carboxy-1-ethyl-4-oxo-1H-quinolin-1-ium-7-yl)-1,3-thiazol-2-yl]azanium Traditional Name: [4-(3-carboxy-1-ethyl-4-keto-1H-quinolin-1-ium-7-yl)thiazol-2-yl]ammonium Formula: C15H15N3O3S+2 MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH3+])C(=O)O

Isomeric SMILES

CC[NH+]1C=C(C(=O)C2=C1C=C(C=C2)C3=CSC(=N3)[NH3+])C(=O)O

InChI

InChI=1S/C15H13N3O3S/c1-2-18-6-10(14(20)21)13(19)9-4-3-8(5-12(9)18)11-7-22-15(16)17-11/h3-7H,2H2,1H3,(H2,16,17)(H,20,21)/p+2