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

Systemtic Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-lauryloxybenzyl)-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C33H45BrN2O2 MolecularWeight: 581.6266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)CC3=C[NH+]=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)CN(C2=CC=C(C=C2)CC3=C[NH+]=CC=C3)C(=O)C.[Br-]

InChI

InChI=1S/C33H44N2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-24-37-33-21-17-30(18-22-33)27-35(28(2)36)32-19-15-29(16-20-32)25-31-14-13-23-34-26-31;/h13-23,26H,3-12,24-25,27H2,1-2H3;1H