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

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

Systemtic Name:1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-yl-propan-2-ol chloride
Openeye Name:1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-yl-propan-2-ol chloride
CAS Name:1-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-3-(1-piperidin-1-iumyl)-2-propanol chloride
IUPAC Name:1-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]-3-piperidin-1-ium-1-ylpropan-2-ol chloride
Traditional Name:1-[(2-methyl-5-nitro-1H-imidazol-4-yl)thio]-3-piperidin-1-ium-1-yl-propan-2-ol chloride
Formula: C12H21ClN4O3S
MolecularWeight: 336.83814
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H20N4O3S.ClH/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);1H


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