2-(3-chloranyl-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide

Systemtic Name: 2-(3-chloranyl-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-tetradecoxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-tetradecoxyphenyl)-N-[(1-propyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-tetradecoxyphenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-chloro-4-myristyloxy-phenyl)-N-[(1-propylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C31H48ClIN2O2 MolecularWeight: 643.08249

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H47ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-23-36-30-20-19-27(24-29(30)32)25-31(35)33-26-28-18-15-16-22-34(28)21-4-2;/h15-16,18-20,22,24H,3-14,17,21,23,25-26H2,1-2H3;1H