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

Systemtic Name: 2-chloranyl-2-(4-dodecoxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-chloro-2-(4-dodecoxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-chloro-2-(4-dodecoxyphenyl)-N-[(1-methyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-chloro-2-(4-dodecoxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-chloro-2-(4-lauryloxyphenyl)-N-[(1-methylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C27H40ClIN2O2 MolecularWeight: 586.97617

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-14-21-32-25-18-16-23(17-19-25)26(28)27(31)29-22-24-15-12-13-20-30(24)2;/h12-13,15-20,26H,3-11,14,21-22H2,1-2H3;1H