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

Systemtic Name: 2-chloranyl-N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-methoxy-2-tetradecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-methoxy-2-tetradecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 2-chloro-N-(3-methoxy-2-myristyloxy-benzyl)-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C36H50ClIN2O3 MolecularWeight: 721.15127

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1OC)CN(CC2=C[N+](=CC=C2)C)C(=O)C3=CC=CC=C3Cl.[I-]

InChI

InChI=1S/C36H50ClN2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-17-26-42-35-31(21-18-24-34(35)41-3)29-39(28-30-20-19-25-38(2)27-30)36(40)32-22-15-16-23-33(32)37;/h15-16,18-25,27H,4-14,17,26,28-29H2,1-3H3;1H/q+1;/p-1