6-(4-methyl-6-sulfo-quinolin-1-ium-1-yl)hexanoic acid

Systemtic Name: 6-(4-methyl-6-sulfo-quinolin-1-ium-1-yl)hexanoic acid Openeye Name: 6-(4-methyl-6-sulfo-quinolin-1-ium-1-yl)hexanoic acid CAS Name: 6-(4-methyl-6-sulfo-1-quinolin-1-iumyl)hexanoic acid IUPAC Name: 6-(4-methyl-6-sulfoquinolin-1-ium-1-yl)hexanoic acid Traditional Name: 6-(4-methyl-6-sulfo-quinolin-1-ium-1-yl)hexanoic acid Formula: C16H20NO5S+ MolecularWeight: 338.3987

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=C(C=CC2=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=C(C=CC2=[N+](C=C1)CCCCCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C16H19NO5S/c1-12-8-10-17(9-4-2-3-5-16(18)19)15-7-6-13(11-14(12)15)23(20,21)22/h6-8,10-11H,2-5,9H2,1H3,(H-,18,19,20,21,22)/p+1