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

Systemtic Name: benzenesulfonate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium Openeye Name: benzenesulfonate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium CAS Name: benzenesulfonate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium IUPAC Name: benzenesulfonate; 1-[(4-nitrophenyl)methyl]pyridin-1-ium Traditional Name: 1-(4-nitrobenzyl)pyridin-1-ium besylate Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=[N+](C=C1)CC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H11N2O2.C6H6O3S/c15-14(16)12-6-4-11(5-7-12)10-13-8-2-1-3-9-13;7-10(8,9)6-4-2-1-3-5-6/h1-9H,10H2;1-5H,(H,7,8,9)/q+1;/p-1