4-quinolin-1-ium-1-ylbutane-2-sulfonate

Systemtic Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonate Openeye Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonate CAS Name: 4-(1-quinolin-1-iumyl)-2-butanesulfonate IUPAC Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonate Traditional Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonate Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC[N+]1=CC=CC2=CC=CC=C21)S(=O)(=O)[O-]

Isomeric SMILES

CC(CC[N+]1=CC=CC2=CC=CC=C21)S(=O)(=O)[O-]

InChI

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