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

Systemtic Name: N-[(3-fluoranyl-4-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(3-fluoro-4-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(3-fluoro-4-tetradecoxyphenyl)methyl]-N-[4-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(3-fluoro-4-tetradecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(3-fluoro-4-myristyloxy-benzyl)-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C35H48BrFN2O2 MolecularWeight: 627.670223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H47FN2O2.BrH/c1-3-4-5-6-7-8-9-10-11-12-13-14-24-40-35-22-19-32(26-34(35)36)28-38(29(2)39)33-20-17-30(18-21-33)25-31-16-15-23-37-27-31;/h15-23,26-27H,3-14,24-25,28H2,1-2H3;1H