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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-16-21-34-29-19-18-26(22-28(29)30)23-32(25(3)33)24-27-17-14-15-20-31(27)5-2;/h14-15,17-20,22H,4-13,16,21,23-24H2,1-3H3;1H/q+1;/p-1