4-(1-methyl-8-oxidanyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid

Systemtic Name: 4-(1-methyl-8-oxidanyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Openeye Name: 4-(8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid CAS Name: 4-(8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)-2-butanesulfonic acid IUPAC Name: 4-(8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Traditional Name: 4-(8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Formula: C14H22NO4S+ MolecularWeight: 300.39378

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1(CCCC2=C1C(=CC=C2)O)C)S(=O)(=O)O

Isomeric SMILES

CC(CC[N+]1(CCCC2=C1C(=CC=C2)O)C)S(=O)(=O)O

InChI

InChI=1S/C14H21NO4S/c1-11(20(17,18)19)8-10-15(2)9-4-6-12-5-3-7-13(16)14(12)15/h3,5,7,11H,4,6,8-10H2,1-2H3,(H-,16,17,18,19)/p+1