3-(4-methylquinolin-1-ium-1-yl)-2-sulfo-propanoic acid

Systemtic Name: 3-(4-methylquinolin-1-ium-1-yl)-2-sulfo-propanoic acid Openeye Name: 3-(4-methylquinolin-1-ium-1-yl)-2-sulfo-propanoic acid CAS Name: 3-(4-methyl-1-quinolin-1-iumyl)-2-sulfopropanoic acid IUPAC Name: 3-(4-methylquinolin-1-ium-1-yl)-2-sulfopropanoic acid Traditional Name: 3-(4-methylquinolin-1-ium-1-yl)-2-sulfo-propionic acid Formula: C13H14NO5S+ MolecularWeight: 296.31896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C2=CC=CC=C12)CC(C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC=[N+](C2=CC=CC=C12)CC(C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H13NO5S/c1-9-6-7-14(11-5-3-2-4-10(9)11)8-12(13(15)16)20(17,18)19/h2-7,12H,8H2,1H3,(H-,15,16,17,18,19)/p+1