benzenesulfonate; 1-(phenylmethyl)pyridin-1-ium

Systemtic Name: benzenesulfonate; 1-(phenylmethyl)pyridin-1-ium Openeye Name: benzenesulfonate; 1-benzylpyridin-1-ium CAS Name: benzenesulfonate; 1-(phenylmethyl)pyridin-1-ium IUPAC Name: benzenesulfonate; 1-benzylpyridin-1-ium Traditional Name: 1-benzylpyridin-1-ium besylate Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CC=CC=C2.C1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C12H12N.C6H6O3S/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;7-10(8,9)6-4-2-1-3-5-6/h1-10H,11H2;1-5H,(H,7,8,9)/q+1;/p-1