1-[(4-nitrophenyl)methyl]-2-(phenylmethylsulfanyl)pyridin-1-ium

Systemtic Name: 1-[(4-nitrophenyl)methyl]-2-(phenylmethylsulfanyl)pyridin-1-ium Openeye Name: 2-benzylsulfanyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium CAS Name: 1-[(4-nitrophenyl)methyl]-2-(phenylmethylthio)pyridin-1-ium IUPAC Name: 2-benzylsulfanyl-1-[(4-nitrophenyl)methyl]pyridin-1-ium Traditional Name: 2-(benzylthio)-1-(4-nitrobenzyl)pyridin-1-ium Formula: C19H17N2O2S+ MolecularWeight: 337.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=CC=CC=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CSC2=CC=CC=[N+]2CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N2O2S/c22-21(23)18-11-9-16(10-12-18)14-20-13-5-4-8-19(20)24-15-17-6-2-1-3-7-17/h1-13H,14-15H2/q+1