1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide

Systemtic Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Openeye Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide CAS Name: 1-(1-cyclohex-3-enylmethoxy)-3-(3-methyl-1-benzimidazol-3-iumyl)-2-propanol iodide IUPAC Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Traditional Name: 1-(cyclohex-3-en-1-ylmethoxy)-3-(3-methylbenzimidazol-3-ium-1-yl)propan-2-ol iodide Formula: C18H25IN2O2 MolecularWeight: 428.30777

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3CCC=CC3)O.[I-]

Isomeric SMILES

C[N+]1=CN(C2=CC=CC=C21)CC(COCC3CCC=CC3)O.[I-]

InChI

InChI=1S/C18H25N2O2.HI/c1-19-14-20(18-10-6-5-9-17(18)19)11-16(21)13-22-12-15-7-3-2-4-8-15;/h2-3,5-6,9-10,14-16,21H,4,7-8,11-13H2,1H3;1H/q+1;/p-1