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

Systemtic Name: 2-(3-chloranyl-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-dodecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-dodecoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-chloro-4-lauryloxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C28H42ClIN2O2 MolecularWeight: 601.00275

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C28H41ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-15-20-33-27-18-17-24(21-26(27)29)22-28(32)30-23-25-16-13-14-19-31(25)4-2;/h13-14,16-19,21H,3-12,15,20,22-23H2,1-2H3;1H