N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide

Systemtic Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Openeye Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide CAS Name: N-[(1-methyl-2-pyridin-1-iumyl)methyl]-3,4-di(tetradecoxy)benzamide iodide IUPAC Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-di(tetradecoxy)benzamide iodide Traditional Name: N-[(1-methylpyridin-1-ium-2-yl)methyl]-3,4-dimyristyloxy-benzamide iodide Formula: C42H71IN2O3 MolecularWeight: 778.92921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OCCCCCCCCCCCCCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OCCCCCCCCCCCCCC.[I-]

InChI

InChI=1S/C42H70N2O3.HI/c1-4-6-8-10-12-14-16-18-20-22-24-28-34-46-40-32-31-38(42(45)43-37-39-30-26-27-33-44(39)3)36-41(40)47-35-29-25-23-21-19-17-15-13-11-9-7-5-2;/h26-27,30-33,36H,4-25,28-29,34-35,37H2,1-3H3;1H