N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide

Systemtic Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide Openeye Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide CAS Name: N-[3-(3-pyridin-1-iumylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide IUPAC Name: N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]-N-[(4-tetradecoxyphenyl)methyl]propanamide bromide Traditional Name: N-(4-myristyloxybenzyl)-N-[3-(pyridin-1-ium-3-ylmethyl)phenyl]propionamide bromide Formula: C36H51BrN2O2 MolecularWeight: 623.70634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O2.BrH/c1-3-5-6-7-8-9-10-11-12-13-14-15-26-40-35-23-21-31(22-24-35)30-38(36(39)4-2)34-20-16-18-32(28-34)27-33-19-17-25-37-29-33;/h16-25,28-29H,3-15,26-27,30H2,1-2H3;1H