5-azanyl-4-methyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid; pyridin-1-ium

Systemtic Name: 5-azanyl-4-methyl-2-oxidanylidene-1H-quinoline-6-sulfonic acid; pyridin-1-ium Openeye Name: 5-amino-4-methyl-2-oxo-1H-quinoline-6-sulfonic acid; pyridin-1-ium CAS Name: 5-amino-4-methyl-2-oxo-1H-quinoline-6-sulfonic acid; pyridin-1-ium IUPAC Name: 5-amino-4-methyl-2-oxo-1H-quinoline-6-sulfonic acid; pyridin-1-ium Traditional Name: 5-amino-2-keto-4-methyl-1H-quinoline-6-sulfonic acid; pyridin-1-ium Formula: C15H16N3O4S+ MolecularWeight: 334.37024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)NC2=C1C(=C(C=C2)S(=O)(=O)O)N.C1=CC=[NH+]C=C1

Isomeric SMILES

CC1=CC(=O)NC2=C1C(=C(C=C2)S(=O)(=O)O)N.C1=CC=[NH+]C=C1

InChI

InChI=1S/C10H10N2O4S.C5H5N/c1-5-4-8(13)12-6-2-3-7(17(14,15)16)10(11)9(5)6;1-2-4-6-5-3-1/h2-4H,11H2,1H3,(H,12,13)(H,14,15,16);1-5H/p+1