1-[1,3-bis[(3-methylimidazol-3-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-methyl-imidazol-3-ium trichloride

Systemtic Name: 1-[1,3-bis[(3-methylimidazol-3-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-methyl-imidazol-3-ium trichloride Openeye Name: 1-[2,3-bis[(3-methylimidazol-3-ium-1-yl)methoxy]propoxymethyl]-3-methyl-imidazol-3-ium trichloride CAS Name: 1-[1,3-bis[(3-methyl-1-imidazol-3-iumyl)methoxy]propan-2-yloxymethyl]-3-methylimidazol-3-ium trichloride IUPAC Name: 1-[1,3-bis[(3-methylimidazol-3-ium-1-yl)methoxy]propan-2-yloxymethyl]-3-methylimidazol-3-ium trichloride Traditional Name: 1-[2,3-bis[(3-methylimidazol-3-ium-1-yl)methoxy]propoxymethyl]-3-methyl-imidazol-3-ium trichloride Formula: C18H29Cl3N6O3 MolecularWeight: 483.82026

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)COCC(COCN2C=C[N+](=C2)C)OCN3C=C[N+](=C3)C.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

C[N+]1=CN(C=C1)COCC(COCN2C=C[N+](=C2)C)OCN3C=C[N+](=C3)C.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C18H29N6O3.3ClH/c1-19-4-7-22(12-19)15-25-10-18(27-17-24-9-6-21(3)14-24)11-26-16-23-8-5-20(2)13-23;;;/h4-9,12-14,18H,10-11,15-17H2,1-3H3;3*1H/q+3;;;/p-3