N-[2-[1-(phenylmethyl)-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]tetradecanamide chloride

Systemtic Name: N-[2-[1-(phenylmethyl)-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]tetradecanamide chloride Openeye Name: N-[2-(1-benzyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide chloride CAS Name: N-[2-[1-(phenylmethyl)-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl]ethyl]tetradecanamide chloride IUPAC Name: N-[2-(1-benzyl-2-tridecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]tetradecanamide chloride Traditional Name: N-[2-(1-benzyl-2-tridecyl-2-imidazolin-1-ium-1-yl)ethyl]myristamide chloride Formula: C39H70ClN3O MolecularWeight: 632.4456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCC1=NCC[N+]1(CCNC(=O)CCCCCCCCCCCCC)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C39H69N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-30-38-40-32-34-42(38,36-37-28-24-23-25-29-37)35-33-41-39(43)31-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,28-29H,3-22,26-27,30-36H2,1-2H3;1H