(2R)-1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol

Systemtic Name: (2R)-1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol Openeye Name: (2R)-1-(3-methyl-5-nitro-imidazol-4-yl)sulfanyl-3-piperidin-1-ium-1-yl-propan-2-ol CAS Name: (2R)-1-[(3-methyl-5-nitro-4-imidazolyl)thio]-3-(1-piperidin-1-iumyl)-2-propanol IUPAC Name: (2R)-1-(3-methyl-5-nitroimidazol-4-yl)sulfanyl-3-piperidin-1-ium-1-ylpropan-2-ol Traditional Name: (2R)-1-[(3-methyl-5-nitro-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:

CN1C=NC(=C1SCC(C[NH+]2CCCCC2)O)[N+](=O)[O-]

Isomeric SMILES

CN1C=NC(=C1SC[C@@H](C[NH+]2CCCCC2)O)[N+](=O)[O-]

InChI

InChI=1S/C12H20N4O3S/c1-14-9-13-11(16(18)19)12(14)20-8-10(17)7-15-5-3-2-4-6-15/h9-10,17H,2-8H2,1H3/p+1/t10-/m1/s1