3-(7-methylquinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(7-methylquinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(7-methylquinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(7-methyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(7-methylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(7-methylquinolin-1-ium-1-yl)propane-1-sulfonate Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=CC=[N+]2CCCS(=O)(=O)[O-])C=C1

Isomeric SMILES

CC1=CC2=C(C=CC=[N+]2CCCS(=O)(=O)[O-])C=C1

InChI

InChI=1S/C13H15NO3S/c1-11-5-6-12-4-2-7-14(13(12)10-11)8-3-9-18(15,16)17/h2,4-7,10H,3,8-9H2,1H3