4-(4-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(4-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(4-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(4-methyl-1-quinolin-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(4-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(4-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Formula: C14H18NO3S+ MolecularWeight: 280.36262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17NO3S/c1-12-8-10-15(9-4-5-11-19(16,17)18)14-7-3-2-6-13(12)14/h2-3,6-8,10H,4-5,9,11H2,1H3/p+1