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

Systemtic Name: 2-(4-tert-butyl-3-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]ethanamide bromide Openeye Name: 2-(4-tert-butyl-3-hexadecoxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide CAS Name: 2-(4-tert-butyl-3-hexadecoxyphenyl)-N-[4-(1-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: 2-(4-tert-butyl-3-hexadecoxyphenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Traditional Name: 2-(4-tert-butyl-3-cetyloxy-phenyl)-N-[4-(pyridin-1-ium-1-ylmethyl)phenyl]acetamide bromide Formula: C40H59BrN2O2 MolecularWeight: 679.81266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H58N2O2.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-44-38-31-35(24-27-37(38)40(2,3)4)32-39(43)41-36-25-22-34(23-26-36)33-42-28-19-18-20-29-42;/h18-20,22-29,31H,5-17,21,30,32-33H2,1-4H3;1H