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

Systemtic Name: N-[(3-chloranyl-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: N-[(3-chloro-4-hexadecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-[(3-chloro-4-hexadecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: N-(4-cetyloxy-3-chloro-benzyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C33H52ClIN2O2 MolecularWeight: 671.13565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(CC2=C[N+](=CC=C2)CC)C(=O)C)Cl.[I-]

InChI

InChI=1S/C33H52ClN2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-24-38-33-22-21-30(25-32(33)34)27-36(29(3)37)28-31-20-19-23-35(5-2)26-31;/h19-23,25-26H,4-18,24,27-28H2,1-3H3;1H/q+1;/p-1