3-(6-acetamido-2-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate

Systemtic Name: 3-(6-acetamido-2-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate Openeye Name: 3-(6-acetamido-2-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate CAS Name: 3-(6-acetamido-2-methyl-1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-(6-acetamido-2-methylquinolin-1-ium-1-yl)propane-1-sulfonate Traditional Name: 3-(6-acetamido-2-methyl-quinolin-1-ium-1-yl)propane-1-sulfonate Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CC1=[N+](C2=C(C=C1)C=C(C=C2)NC(=O)C)CCCS(=O)(=O)[O-]

InChI

InChI=1S/C15H18N2O4S/c1-11-4-5-13-10-14(16-12(2)18)6-7-15(13)17(11)8-3-9-22(19,20)21/h4-7,10H,3,8-9H2,1-2H3,(H-,16,18,19,20,21)