N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine

Systemtic Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine Openeye Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methyl-propyl]-3-nitro-pyridin-1-ium-2-amine CAS Name: N-[2-[(4-fluorophenyl)methylthio]-2-methylpropyl]-3-nitro-2-pyridin-1-iumamine IUPAC Name: N-[2-[(4-fluorophenyl)methylsulfanyl]-2-methylpropyl]-3-nitropyridin-1-ium-2-amine Traditional Name: [2-[(4-fluorobenzyl)thio]-2-methyl-propyl]-(3-nitropyridin-1-ium-2-yl)amine Formula: C16H19FN3O2S+ MolecularWeight: 336.404363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC1=C(C=CC=[NH+]1)[N+](=O)[O-])SCC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(CNC1=C(C=CC=[NH+]1)[N+](=O)[O-])SCC2=CC=C(C=C2)F

InChI

InChI=1S/C16H18FN3O2S/c1-16(2,23-10-12-5-7-13(17)8-6-12)11-19-15-14(20(21)22)4-3-9-18-15/h3-9H,10-11H2,1-2H3,(H,18,19)/p+1