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

Systemtic Name: 1-chloranyl-3-[[2-methyl-5-nitro-3-(phenylmethyl)-1H-imidazol-3-ium-4-yl]sulfanyl]propan-2-ol Openeye Name: 1-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]-3-chloro-propan-2-ol CAS Name: 1-chloro-3-[[2-methyl-5-nitro-3-(phenylmethyl)-1H-imidazol-3-ium-4-yl]thio]-2-propanol IUPAC Name: 1-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)sulfanyl]-3-chloropropan-2-ol Traditional Name: 1-[(3-benzyl-2-methyl-5-nitro-1H-imidazol-3-ium-4-yl)thio]-3-chloro-propan-2-ol Formula: C14H17ClN3O3S+ MolecularWeight: 342.82108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C(=C(N1)[N+](=O)[O-])SCC(CCl)O)CC2=CC=CC=C2

Isomeric SMILES

CC1=[N+](C(=C(N1)[N+](=O)[O-])SCC(CCl)O)CC2=CC=CC=C2

InChI

InChI=1S/C14H16ClN3O3S/c1-10-16-13(18(20)21)14(22-9-12(19)7-15)17(10)8-11-5-3-2-4-6-11/h2-6,12,19H,7-9H2,1H3/p+1