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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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