benzenesulfonate; 1-decyl-3-methyl-imidazol-3-ium

Systemtic Name: benzenesulfonate; 1-decyl-3-methyl-imidazol-3-ium Openeye Name: benzenesulfonate; 1-decyl-3-methyl-imidazol-3-ium CAS Name: benzenesulfonate; 1-decyl-3-methylimidazol-3-ium IUPAC Name: benzenesulfonate; 1-decyl-3-methylimidazol-3-ium Traditional Name: 1-decyl-3-methyl-imidazol-3-ium besylate Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCN1C=C[N+](=C1)C.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C14H27N2.C6H6O3S/c1-3-4-5-6-7-8-9-10-11-16-13-12-15(2)14-16;7-10(8,9)6-4-2-1-3-5-6/h12-14H,3-11H2,1-2H3;1-5H,(H,7,8,9)/q+1;/p-1