3-quinolin-1-ium-1-ylpropane-1-sulfonic acid

Systemtic Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonic acid Openeye Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonic acid CAS Name: 3-(1-quinolin-1-iumyl)-1-propanesulfonic acid IUPAC Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonic acid Traditional Name: 3-quinolin-1-ium-1-ylpropane-1-sulfonic acid Formula: C12H14NO3S+ MolecularWeight: 252.30946

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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/p+1