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

Systemtic Name: 2-chloranyl-N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 2-chloro-N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 2-chloro-N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 2-chloro-N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 2-chloro-N-(3-chloro-4-lauryloxy-benzyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C33H43Cl2IN2O2 MolecularWeight: 697.51719

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=CC=CC=[N+]2C)C(=O)C3=CC=CC=C3Cl)Cl.[I-]

InChI

InChI=1S/C33H43Cl2N2O2.HI/c1-3-4-5-6-7-8-9-10-11-16-23-39-32-21-20-27(24-31(32)35)25-37(26-28-17-14-15-22-36(28)2)33(38)29-18-12-13-19-30(29)34;/h12-15,17-22,24H,3-11,16,23,25-26H2,1-2H3;1H/q+1;/p-1