3-quinolin-1-ium-1-ylpropane-1-sulfonate

Systemtic Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonate Openeye Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonate CAS Name: 3-(1-quinolin-1-iumyl)-1-propanesulfonate IUPAC Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonate Traditional Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonate Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CCCS(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H13NO3S/c14-17(15,16)10-4-9-13-8-3-6-11-5-1-2-7-12(11)13/h1-3,5-8H,4,9-10H2