4-(5-azanyl-1-methyl-8-oxidanyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid

Systemtic Name: 4-(5-azanyl-1-methyl-8-oxidanyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Openeye Name: 4-(5-amino-8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid CAS Name: 4-(5-amino-8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)-2-butanesulfonic acid IUPAC Name: 4-(5-amino-8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Traditional Name: 4-(5-amino-8-hydroxy-1-methyl-3,4-dihydro-2H-quinolin-1-ium-1-yl)butane-2-sulfonic acid Formula: C14H23N2O4S+ MolecularWeight: 315.40842

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1(CCCC2=C(C=CC(=C21)O)N)C)S(=O)(=O)O

Isomeric SMILES

CC(CC[N+]1(CCCC2=C(C=CC(=C21)O)N)C)S(=O)(=O)O

InChI

InChI=1S/C14H22N2O4S/c1-10(21(18,19)20)7-9-16(2)8-3-4-11-12(15)5-6-13(17)14(11)16/h5-6,10H,3-4,7-9,15H2,1-2H3,(H-,17,18,19,20)/p+1