N-ethanoyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide

Systemtic Name: N-ethanoyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide Openeye Name: N-acetyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide CAS Name: N-acetyl-N-[3-(1-propyl-2-pyridin-1-iumyl)propyl]-3,4-di(tetradecoxy)benzamide IUPAC Name: N-acetyl-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]-3,4-di(tetradecoxy)benzamide Traditional Name: N-acetyl-3,4-dimyristyloxy-N-[3-(1-propylpyridin-1-ium-2-yl)propyl]benzamide Formula: C48H81N2O4+ MolecularWeight: 750.16774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)OCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CCCC2=CC=CC=[N+]2CCC)C(=O)C)OCCCCCCCCCCCCCC

InChI

InChI=1S/C48H81N2O4/c1-5-8-10-12-14-16-18-20-22-24-26-30-40-53-46-36-35-44(42-47(46)54-41-31-27-25-23-21-19-17-15-13-11-9-6-2)48(52)50(43(4)51)39-32-34-45-33-28-29-38-49(45)37-7-3/h28-29,33,35-36,38,42H,5-27,30-32,34,37,39-41H2,1-4H3/q+1