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

Systemtic Name: 2-(2-chloranyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(2-chloro-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(2-chloro-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(4-cetyloxy-2-chloro-phenyl)-N-[(1-ethylpyridin-1-ium-2-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=CC=CC=[N+]2CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)Cl.[I-]

InChI

InChI=1S/C32H49ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-37-30-22-21-28(31(33)26-30)25-32(36)34-27-29-20-17-18-23-35(29)4-2;/h17-18,20-23,26H,3-16,19,24-25,27H2,1-2H3;1H