N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide

Systemtic Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-[(4-hexadecoxy-2-methyl-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-[(4-hexadecoxy-2-methylphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-(4-cetyloxy-2-methyl-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Formula: C33H53N2O2+ MolecularWeight: 509.78612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C)C

InChI

InChI=1S/C33H53N2O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-37-33-22-21-32(29(2)25-33)28-35(30(3)36)27-31-20-19-23-34(4)26-31/h19-23,25-26H,5-18,24,27-28H2,1-4H3/q+1