2-(2-chloranyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(2-chloranyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(2-chloro-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(2-chloro-3-tetradecoxyphenyl)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(2-chloro-3-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(2-chloro-3-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)CC(=O)NCC2=CC=CC=[N+]2CCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)CC(=O)NCC2=CC=CC=[N+]2CCC.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-24-36-29-21-18-19-27(31(29)32)25-30(35)33-26-28-20-15-16-23-34(28)22-4-2;/h15-16,18-21,23H,3-14,17,22,24-26H2,1-2H3;1H