1-pyridin-1-ium-1-yloctadecyl 2-methylprop-2-enoate

Systemtic Name: 1-pyridin-1-ium-1-yloctadecyl 2-methylprop-2-enoate Openeye Name: 1-pyridin-1-ium-1-yloctadecyl 2-methylprop-2-enoate CAS Name: 2-methyl-2-propenoic acid 1-(1-pyridin-1-iumyl)octadecyl ester IUPAC Name: 1-pyridin-1-ium-1-yloctadecyl 2-methylprop-2-enoate Traditional Name: 2-methylacrylic acid 1-pyridin-1-ium-1-yloctadecyl ester Formula: C27H46NO2+ MolecularWeight: 416.65964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC([N+]1=CC=CC=C1)OC(=O)C(=C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC([N+]1=CC=CC=C1)OC(=O)C(=C)C

InChI

InChI=1S/C27H46NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-26(30-27(29)25(2)3)28-23-20-18-21-24-28/h18,20-21,23-24,26H,2,4-17,19,22H2,1,3H3/q+1