N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(3-tetradecoxyphenyl)methyl]ethanamide bromide

Systemtic Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(3-tetradecoxyphenyl)methyl]ethanamide bromide Openeye Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(3-tetradecoxyphenyl)methyl]acetamide bromide CAS Name: N-[3-(3-pyridin-1-iumylmethyl)phenyl]-N-[(3-tetradecoxyphenyl)methyl]acetamide bromide IUPAC Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(3-tetradecoxyphenyl)methyl]acetamide bromide Traditional Name: N-(3-myristyloxybenzyl)-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C35H49BrN2O2 MolecularWeight: 609.67976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H48N2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-39-35-22-16-19-33(27-35)29-37(30(2)38)34-21-15-18-31(26-34)25-32-20-17-23-36-28-32;/h15-23,26-28H,3-14,24-25,29H2,1-2H3;1H