2-[[(E)-(4-carboxy-7-chloranyl-quinolin-2-yl)methylideneamino]azaniumyl]ethyl sulfate

Systemtic Name: 2-[[(E)-(4-carboxy-7-chloranyl-quinolin-2-yl)methylideneamino]azaniumyl]ethyl sulfate Openeye Name: 2-[[(E)-(4-carboxy-7-chloro-2-quinolyl)methyleneamino]ammonio]ethyl sulfate CAS Name: 2-[[(E)-(4-carboxy-7-chloro-2-quinolinyl)methylideneamino]ammonio]ethyl sulfate IUPAC Name: 2-[[(E)-(4-carboxy-7-chloroquinolin-2-yl)methylideneamino]azaniumyl]ethyl sulfate Traditional Name: 2-[[(E)-(4-carboxy-7-chloro-2-quinolyl)methyleneamino]ammonio]ethyl sulfate Formula: C13H12ClN3O6S MolecularWeight: 373.76888

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)C=N[NH2+]CCOS(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C1Cl)N=C(C=C2C(=O)O)/C=N/[NH2+]CCOS(=O)(=O)[O-]

InChI

InChI=1S/C13H12ClN3O6S/c14-8-1-2-10-11(13(18)19)6-9(17-12(10)5-8)7-16-15-3-4-23-24(20,21)22/h1-2,5-7,15H,3-4H2,(H,18,19)(H,20,21,22)/b16-7+