4-quinolin-1-ium-1-ylbutane-2-sulfonic acid

Systemtic Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonic acid Openeye Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonic acid CAS Name: 4-(1-quinolin-1-iumyl)-2-butanesulfonic acid IUPAC Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonic acid Traditional Name: 4-quinolin-1-ium-1-ylbutane-2-sulfonic acid Formula: C13H16NO3S+ MolecularWeight: 266.33604

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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/p+1