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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-hexadecoxy-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-hexadecoxyphenyl)-N-[(1-methyl-4-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-hexadecoxyphenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-3-chloro-phenyl)-N-[(1-methylpyridin-1-ium-4-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=[N+](C=C2)C)Cl.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-36-30-18-17-28(24-29(30)32)25-31(35)33-26-27-19-21-34(2)22-20-27;/h17-22,24H,3-16,23,25-26H2,1-2H3;1H