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

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-chloro-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C32H50ClIN2O2 MolecularWeight: 657.10907

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H49ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-23-37-30-21-20-29(31(33)25-30)24-32(36)34-26-28-19-18-22-35(4-2)27-28;/h18-22,25,27H,3-17,23-24,26H2,1-2H3;1H