2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride

Systemtic Name: 2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride Openeye Name: 2-[3-benzyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride CAS Name: 2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride IUPAC Name: 2-[3-benzyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethanol chloride Traditional Name: 2-[3-benzyl-2-(16-methylheptadecyl)-2-imidazolin-3-ium-1-yl]ethanol chloride Formula: C30H53ClN2O MolecularWeight: 493.20762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CC2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC1=[N+](CCN1CCO)CC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C30H53N2O.ClH/c1-28(2)19-15-12-10-8-6-4-3-5-7-9-11-13-18-22-30-31(25-26-33)23-24-32(30)27-29-20-16-14-17-21-29;/h14,16-17,20-21,28,33H,3-13,15,18-19,22-27H2,1-2H3;1H/q+1;/p-1