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

Systemtic Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(3-dodecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(3-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=CC(=C1)CN(C2=CC=C(C=C2)CC3=C[NH+]=CC=C3)C(=O)C.[Br-]

Isomeric SMILES

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

InChI

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