1-(3-methylimidazol-3-ium-1-yl)-3-[6-(2-oxidanylbutylamino)hexylamino]propan-2-one

Systemtic Name: 1-(3-methylimidazol-3-ium-1-yl)-3-[6-(2-oxidanylbutylamino)hexylamino]propan-2-one Openeye Name: 1-[6-(2-hydroxybutylamino)hexylamino]-3-(3-methylimidazol-3-ium-1-yl)propan-2-one CAS Name: 1-[6-(2-hydroxybutylamino)hexylamino]-3-(3-methyl-1-imidazol-3-iumyl)-2-propanone IUPAC Name: 1-[6-(2-hydroxybutylamino)hexylamino]-3-(3-methylimidazol-3-ium-1-yl)propan-2-one Traditional Name: 1-[6-(2-hydroxybutylamino)hexylamino]-3-(3-methylimidazol-3-ium-1-yl)acetone Formula: C17H33N4O2+ MolecularWeight: 325.46952

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNCCCCCCNCC(=O)CN1C=C[N+](=C1)C)O

Isomeric SMILES

CCC(CNCCCCCCNCC(=O)CN1C=C[N+](=C1)C)O

InChI

InChI=1S/C17H33N4O2/c1-3-16(22)12-18-8-6-4-5-7-9-19-13-17(23)14-21-11-10-20(2)15-21/h10-11,15-16,18-19,22H,3-9,12-14H2,1-2H3/q+1