benzenesulfonate; 1-butyl-4-methyl-pyridin-1-ium

Systemtic Name: benzenesulfonate; 1-butyl-4-methyl-pyridin-1-ium Openeye Name: benzenesulfonate; 1-butyl-4-methyl-pyridin-1-ium CAS Name: benzenesulfonate; 1-butyl-4-methylpyridin-1-ium IUPAC Name: benzenesulfonate; 1-butyl-4-methylpyridin-1-ium Traditional Name: 1-butyl-4-methyl-pyridin-1-ium besylate Formula: C16H21NO3S MolecularWeight: 307.40784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CC=C(C=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCC[N+]1=CC=C(C=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C10H16N.C6H6O3S/c1-3-4-7-11-8-5-10(2)6-9-11;7-10(8,9)6-4-2-1-3-5-6/h5-6,8-9H,3-4,7H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1