4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Openeye Name: 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid CAS Name: 4-(2-methyl-1-quinolin-1-iumyl)-1-butanesulfonic acid IUPAC Name: 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Traditional Name: 4-(2-methylquinolin-1-ium-1-yl)butane-1-sulfonic acid Formula: C14H18NO3S+ MolecularWeight: 280.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=CC=CC=C2C=C1)CCCCS(=O)(=O)O

Isomeric SMILES

CC1=[N+](C2=CC=CC=C2C=C1)CCCCS(=O)(=O)O

InChI

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