2-(2-chloranyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide

Systemtic Name: 2-(2-chloranyl-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(2-chloro-3-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(2-chloro-3-tetradecoxyphenyl)-N-[(1-propyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(2-chloro-3-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(2-chloro-3-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)CC(=O)NCC2=C[N+](=CC=C2)CCC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)CC(=O)NCC2=C[N+](=CC=C2)CCC.[I-]

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-23-36-29-20-16-19-28(31(29)32)24-30(35)33-25-27-18-17-22-34(26-27)21-4-2;/h16-20,22,26H,3-15,21,23-25H2,1-2H3;1H