1,2-di(heptadecyl)-1-methyl-4,5-dihydroimidazole-1,3-diium chloride

Systemtic Name: 1,2-di(heptadecyl)-1-methyl-4,5-dihydroimidazole-1,3-diium chloride Openeye Name: 1,2-di(heptadecyl)-1-methyl-4,5-dihydroimidazole-1,3-diium chloride CAS Name: 1,2-di(heptadecyl)-1-methyl-4,5-dihydroimidazole-1,3-diium chloride IUPAC Name: 1,2-di(heptadecyl)-1-methyl-4,5-dihydroimidazole-1,3-diium chloride Traditional Name: 1,2-di(heptadecyl)-1-methyl-2-imidazoline-1,3-diium chloride Formula: C38H78ClN2+ MolecularWeight: 598.49232

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=[NH+]CC[N+]1(C)CCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C38H77N2.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-38-39-35-37-40(38,3)36-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h4-37H2,1-3H3;1H/q+1;