benzenesulfonate; 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium

Systemtic Name: benzenesulfonate; 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium Openeye Name: benzenesulfonate; 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium CAS Name: benzenesulfonate; 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium IUPAC Name: benzenesulfonate; 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium Traditional Name: 1-[1-(4-nitrophenyl)ethyl]pyridin-1-ium besylate Formula: C19H18N2O5S MolecularWeight: 386.42162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N2O2.C6H6O3S/c1-11(14-9-3-2-4-10-14)12-5-7-13(8-6-12)15(16)17;7-10(8,9)6-4-2-1-3-5-6/h2-11H,1H3;1-5H,(H,7,8,9)/q+1;/p-1