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

Systemtic Name: 2-(3-chloranyl-4-hexadecoxy-phenoxy)-N-ethanoyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: N-acetyl-2-(3-chloro-4-hexadecoxy-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: N-acetyl-2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: N-acetyl-2-(3-chloro-4-hexadecoxyphenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: N-acetyl-2-(4-cetyloxy-3-chloro-phenoxy)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C33H50ClIN2O4 MolecularWeight: 701.11857

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=C(C=C(C=C1)OCC(=O)N(CC2=CC=CC=[N+]2C)C(=O)C)Cl.[I-]

InChI

InChI=1S/C33H50ClN2O4.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-39-32-22-21-30(25-31(32)34)40-27-33(38)36(28(2)37)26-29-20-17-18-23-35(29)3;/h17-18,20-23,25H,4-16,19,24,26-27H2,1-3H3;1H/q+1;/p-1