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

Systemtic Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: N-[(3-tert-butyl-4-hexadecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: N-[(3-tert-butyl-4-hexadecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: N-(3-tert-butyl-4-cetyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Formula: C36H59N2O2+ MolecularWeight: 551.86586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H59N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-40-35-24-23-32(27-34(35)36(3,4)5)29-38(31(2)39)30-33-22-21-25-37(6)28-33/h21-25,27-28H,7-20,26,29-30H2,1-6H3/q+1