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

Systemtic Name: 2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 2-methoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 2-methoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)C)OC.[I-]

InChI

InChI=1S/C29H44N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-34-26-16-17-27(28(23-26)33-3)29(32)30-24-25-18-20-31(2)21-19-25;/h16-21,23H,4-15,22,24H2,1-3H3;1H