(2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-methylsulfanyl-butanoate

Systemtic Name: (2R)-2-[(6-chloranyl-3-nitro-pyridin-1-ium-2-yl)amino]-4-methylsulfanyl-butanoate Openeye Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-methylsulfanyl-butanoate CAS Name: (2R)-2-[(6-chloro-3-nitro-2-pyridin-1-iumyl)amino]-4-(methylthio)butanoate IUPAC Name: (2R)-2-[(6-chloro-3-nitropyridin-1-ium-2-yl)amino]-4-methylsulfanylbutanoate Traditional Name: (2R)-2-[(6-chloro-3-nitro-pyridin-1-ium-2-yl)amino]-4-(methylthio)butyrate Formula: C10H12ClN3O4S MolecularWeight: 305.73798

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC1=C(C=CC(=[NH+]1)Cl)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C(=O)[O-])NC1=C(C=CC(=[NH+]1)Cl)[N+](=O)[O-]

InChI

InChI=1S/C10H12ClN3O4S/c1-19-5-4-6(10(15)16)12-9-7(14(17)18)2-3-8(11)13-9/h2-3,6H,4-5H2,1H3,(H,12,13)(H,15,16)/t6-/m1/s1