8-acetamidoquinoline-5-sulfonate; pyridin-1-ium

Systemtic Name: 8-acetamidoquinoline-5-sulfonate; pyridin-1-ium Openeye Name: 8-acetamidoquinoline-5-sulfonate; pyridin-1-ium CAS Name: 8-acetamido-5-quinolinesulfonate; pyridin-1-ium IUPAC Name: 8-acetamidoquinoline-5-sulfonate; pyridin-1-ium Traditional Name: 8-acetamidoquinoline-5-sulfonate; pyridin-1-ium Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=CC=N2.C1=CC=[NH+]C=C1

Isomeric SMILES

CC(=O)NC1=C2C(=C(C=C1)S(=O)(=O)[O-])C=CC=N2.C1=CC=[NH+]C=C1

InChI

InChI=1S/C11H10N2O4S.C5H5N/c1-7(14)13-9-4-5-10(18(15,16)17)8-3-2-6-12-11(8)9;1-2-4-6-5-3-1/h2-6H,1H3,(H,13,14)(H,15,16,17);1-5H