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

Systemtic Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-hexadecoxyphenyl)methyl]-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-cetyloxybenzyl)-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C37H53BrN2O2 MolecularWeight: 637.73292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CC3=C[NH+]=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=CC(=C2)CC3=C[NH+]=CC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C37H52N2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-41-37-24-22-33(23-25-37)31-39(32(2)40)36-21-17-19-34(29-36)28-35-20-18-26-38-30-35;/h17-26,29-30H,3-16,27-28,31H2,1-2H3;1H