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

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-cetyloxy-2-chloro-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C36H50BrClN2O2 MolecularWeight: 658.1514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)Cl.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NC2=CC=C(C=C2)C[N+]3=CC=CC=C3)Cl.[Br-]

InChI

InChI=1S/C36H49ClN2O2.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-27-41-34-24-21-32(35(37)29-34)28-36(40)38-33-22-19-31(20-23-33)30-39-25-16-15-17-26-39;/h15-17,19-26,29H,2-14,18,27-28,30H2,1H3;1H