(1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-(3-nitrothiophen-2-yl)-phenyl-methanol iodide

Systemtic Name: (1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-(3-nitrothiophen-2-yl)-phenyl-methanol iodide Openeye Name: (1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-(3-nitro-2-thienyl)-phenyl-methanol iodide CAS Name: (1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-(3-nitro-2-thiophenyl)-phenylmethanol iodide IUPAC Name: (1,3-dimethyl-4,5-dihydroimidazol-1-ium-2-yl)-(3-nitrothiophen-2-yl)-phenylmethanol iodide Traditional Name: (1,3-dimethyl-2-imidazolin-1-ium-2-yl)-(3-nitro-2-thienyl)-phenyl-methanol iodide Formula: C16H18IN3O3S MolecularWeight: 459.30189

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[N+](=C1C(C2=CC=CC=C2)(C3=C(C=CS3)[N+](=O)[O-])O)C.[I-]

Isomeric SMILES

CN1CC[N+](=C1C(C2=CC=CC=C2)(C3=C(C=CS3)[N+](=O)[O-])O)C.[I-]

InChI

InChI=1S/C16H18N3O3S.HI/c1-17-9-10-18(2)15(17)16(20,12-6-4-3-5-7-12)14-13(19(21)22)8-11-23-14;/h3-8,11,20H,9-10H2,1-2H3;1H/q+1;/p-1