4-ethenylbenzenesulfonate; 2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethyl 2-methylprop-2-enoate

Systemtic Name: 4-ethenylbenzenesulfonate; 2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethyl 2-methylprop-2-enoate Openeye Name: 2-[3-benzyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethyl 2-methylprop-2-enoate; 4-vinylbenzenesulfonate CAS Name: 4-ethenylbenzenesulfonate; 2-methyl-2-propenoic acid 2-[2-(16-methylheptadecyl)-3-(phenylmethyl)-4,5-dihydroimidazol-3-ium-1-yl]ethyl ester IUPAC Name: 2-[3-benzyl-2-(16-methylheptadecyl)-4,5-dihydroimidazol-3-ium-1-yl]ethyl 2-methylprop-2-enoate; 4-ethenylbenzenesulfonate Traditional Name: 2-methylacrylic acid 2-[3-benzyl-2-(16-methylheptadecyl)-2-imidazolin-3-ium-1-yl]ethyl ester; 4-vinylbesylate Formula: C42H64N2O5S MolecularWeight: 709.03296

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCCCCCCCC1=[N+](CCN1CCOC(=O)C(=C)C)CC2=CC=CC=C2.C=CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC(C)CCCCCCCCCCCCCCCC1=[N+](CCN1CCOC(=O)C(=C)C)CC2=CC=CC=C2.C=CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C34H57N2O2.C8H8O3S/c1-30(2)21-17-14-12-10-8-6-5-7-9-11-13-15-20-24-33-35(27-28-38-34(37)31(3)4)25-26-36(33)29-32-22-18-16-19-23-32;1-2-7-3-5-8(6-4-7)12(9,10)11/h16,18-19,22-23,30H,3,5-15,17,20-21,24-29H2,1-2,4H3;2-6H,1H2,(H,9,10,11)/q+1;/p-1