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

Systemtic Name: N-[(4-methoxy-3-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]ethanamide bromide Openeye Name: N-[(4-methoxy-3-tetradecoxy-phenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide CAS Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[4-(3-pyridin-1-iumylmethyl)phenyl]acetamide bromide IUPAC Name: N-[(4-methoxy-3-tetradecoxyphenyl)methyl]-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Traditional Name: N-(4-methoxy-3-myristyloxy-benzyl)-N-[4-(pyridin-1-ium-3-ylmethyl)phenyl]acetamide bromide Formula: C36H51BrN2O3 MolecularWeight: 639.70574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H50N2O3.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-25-41-36-27-33(20-23-35(36)40-3)29-38(30(2)39)34-21-18-31(19-22-34)26-32-17-16-24-37-28-32;/h16-24,27-28H,4-15,25-26,29H2,1-3H3;1H