benzenesulfonic acid; 1-pentylpyridin-1-ium

Systemtic Name: benzenesulfonic acid; 1-pentylpyridin-1-ium Openeye Name: benzenesulfonic acid; 1-pentylpyridin-1-ium CAS Name: benzenesulfonic acid; 1-pentylpyridin-1-ium IUPAC Name: benzenesulfonic acid; 1-pentylpyridin-1-ium Traditional Name: 1-amylpyridin-1-ium; besylic acid Formula: C16H22NO3S+ MolecularWeight: 308.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N.C6H6O3S/c1-2-3-5-8-11-9-6-4-7-10-11;7-10(8,9)6-4-2-1-3-5-6/h4,6-7,9-10H,2-3,5,8H2,1H3;1-5H,(H,7,8,9)/q+1;