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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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