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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]ethanamide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-methyl-3-pyridin-1-iumyl)methyl]acetamide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]acetamide Formula: C35H57N2O2+ MolecularWeight: 537.83928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)C)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)C)C(C)(C)C

InChI

InChI=1S/C35H56N2O2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-39-33-23-22-30(26-32(33)35(2,3)4)27-34(38)36-28-31-21-20-24-37(5)29-31/h20-24,26,29H,6-19,25,27-28H2,1-5H3/p+1