4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)butane-1-sulfonate

Systemtic Name: 4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)butane-1-sulfonate Openeye Name: 4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)butane-1-sulfonate CAS Name: 4-(6-methoxy-2-methyl-1-quinolin-1-iumyl)-1-butanesulfonate IUPAC Name: 4-(6-methoxy-2-methylquinolin-1-ium-1-yl)butane-1-sulfonate Traditional Name: 4-(6-methoxy-2-methyl-quinolin-1-ium-1-yl)butane-1-sulfonate Formula: C15H19NO4S MolecularWeight: 309.38066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)OC)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H19NO4S/c1-12-5-6-13-11-14(20-2)7-8-15(13)16(12)9-3-4-10-21(17,18)19/h5-8,11H,3-4,9-10H2,1-2H3