2-(2-hexadecoxy-3-methoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide

Systemtic Name: 2-(2-hexadecoxy-3-methoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(2-hexadecoxy-3-methoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(2-hexadecoxy-3-methoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(2-hexadecoxy-3-methoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(2-cetyloxy-3-methoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C37H53BrN2O3 MolecularWeight: 653.73232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C37H52N2O3.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-29-42-37-33(21-20-22-35(37)41-2)30-36(40)38-34-25-23-32(24-26-34)31-39-27-17-16-18-28-39;/h16-18,20-28H,3-15,19,29-31H2,1-2H3;1H