N-methyl-1-[4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]methanesulfonamide

Systemtic Name: N-methyl-1-[4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]methanesulfonamide Openeye Name: N-methyl-1-[4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]methanesulfonamide CAS Name: N-methyl-1-[4-[[(3-nitro-2-pyridin-1-iumyl)amino]methyl]phenyl]methanesulfonamide IUPAC Name: N-methyl-1-[4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]methanesulfonamide Traditional Name: N-methyl-1-[4-[[(3-nitropyridin-1-ium-2-yl)amino]methyl]phenyl]methanesulfonamide Formula: C14H17N4O4S+ MolecularWeight: 337.37418

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

Isomeric SMILES

CNS(=O)(=O)CC1=CC=C(C=C1)CNC2=C(C=CC=[NH+]2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N4O4S/c1-15-23(21,22)10-12-6-4-11(5-7-12)9-17-14-13(18(19)20)3-2-8-16-14/h2-8,15H,9-10H2,1H3,(H,16,17)/p+1