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

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C39H57BrN2O2 MolecularWeight: 665.78608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=C(C=C2)CC3=C[NH+]=CC=C3)C(=O)C)C(C)(C)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=C(C=C2)CC3=C[NH+]=CC=C3)C(=O)C)C(C)(C)C.[Br-]

InChI

InChI=1S/C39H56N2O2.BrH/c1-6-7-8-9-10-11-12-13-14-15-16-17-27-43-38-25-22-35(29-37(38)39(3,4)5)31-41(32(2)42)36-23-20-33(21-24-36)28-34-19-18-26-40-30-34;/h18-26,29-30H,6-17,27-28,31H2,1-5H3;1H