(2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2S)-1-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-3-piperidin-1-ium-1-yl-propan-2-ol Formula: C12H21N4O3S+ MolecularWeight: 301.38514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(N1)[N+](=O)[O-])SCC(C[NH+]2CCCCC2)O

Isomeric SMILES

CC1=NC(=C(N1)[N+](=O)[O-])SC[C@H](C[NH+]2CCCCC2)O

InChI

InChI=1S/C12H20N4O3S/c1-9-13-11(16(18)19)12(14-9)20-8-10(17)7-15-5-3-2-4-6-15/h10,17H,2-8H2,1H3,(H,13,14)/p+1/t10-/m0/s1