3-(1-dodecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; (E)-octadec-9-enoic acid

Systemtic Name: 3-(1-dodecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; (E)-octadec-9-enoic acid Openeye Name: 3-(1-dodecyl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine; (E)-octadec-9-enoic acid CAS Name: 3-(1-dodecyl-1-methyl-2-pyrrolidin-1-iumyl)pyridine; (E)-9-octadecenoic acid IUPAC Name: 3-(1-dodecyl-1-methylpyrrolidin-1-ium-2-yl)pyridine; (E)-octadec-9-enoic acid Traditional Name: elaidic acid; 3-(1-lauryl-1-methyl-pyrrolidin-1-ium-2-yl)pyridine Formula: C40H73N2O2+ MolecularWeight: 614.01982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+]1(CCCC1C2=CN=CC=C2)C.CCCCCCCCC=CCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCC[N+]1(CCCC1C2=CN=CC=C2)C.CCCCCCCC/C=C/CCCCCCCC(=O)O

InChI

InChI=1S/C22H39N2.C18H34O2/c1-3-4-5-6-7-8-9-10-11-12-18-24(2)19-14-16-22(24)21-15-13-17-23-20-21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h13,15,17,20,22H,3-12,14,16,18-19H2,1-2H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/q+1;/b;10-9+