N-[3-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]octadecanamide chloride

Systemtic Name: N-[3-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]octadecanamide chloride Openeye Name: N-[3-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide chloride CAS Name: N-[3-[2-heptadecyl-1-(phenylmethyl)-4,5-dihydroimidazol-1-ium-1-yl]propyl]octadecanamide chloride IUPAC Name: N-[3-(1-benzyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)propyl]octadecanamide chloride Traditional Name: N-[3-(1-benzyl-2-heptadecyl-2-imidazolin-1-ium-1-yl)propyl]stearamide chloride Formula: C48H88ClN3O MolecularWeight: 758.68482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCCNC(=O)CCCCCCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCCNC(=O)CCCCCCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C48H87N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-39-47-49-42-44-51(47,45-46-37-32-31-33-38-46)43-36-41-50-48(52)40-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h31-33,37-38H,3-30,34-36,39-45H2,1-2H3;1H