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

Systemtic Name: 2-chloranyl-N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-[(2-methyl-4-tetradecoxy-phenyl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(1-methyl-3-pyridin-1-iumyl)methyl]-N-[(2-methyl-4-tetradecoxyphenyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(1-methylpyridin-1-ium-3-yl)methyl]-N-[(2-methyl-4-tetradecoxyphenyl)methyl]benzamide iodide Traditional Name: 2-chloro-N-(2-methyl-4-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C36H50ClIN2O2 MolecularWeight: 705.15187

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC(=C(C=C1)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl)C.[I-]

InChI

InChI=1S/C36H50ClN2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-25-41-33-23-22-32(30(2)26-33)29-39(28-31-19-18-24-38(3)27-31)36(40)34-20-15-16-21-35(34)37;/h15-16,18-24,26-27H,4-14,17,25,28-29H2,1-3H3;1H/q+1;/p-1