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

Systemtic Name: 2-chloranyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)ethanamide iodide Openeye Name: 2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide CAS Name: 2-chloro-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide IUPAC Name: 2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-tetradecoxyphenyl)acetamide iodide Traditional Name: 2-chloro-N-[(1-methylpyridin-1-ium-2-yl)methyl]-2-(4-myristyloxyphenyl)acetamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=[N+]2C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C(C(=O)NCC2=CC=CC=[N+]2C)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-23-34-27-20-18-25(19-21-27)28(30)29(33)31-24-26-17-14-15-22-32(26)2;/h14-15,17-22,28H,3-13,16,23-24H2,1-2H3;1H