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

Systemtic Name: 2-(3-chloranyl-4-tetradecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-chloro-4-tetradecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-chloro-4-tetradecoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-chloro-4-tetradecoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-chloro-4-myristyloxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C30H46ClIN2O2 MolecularWeight: 629.05591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H45ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-22-35-29-20-19-26(23-28(29)31)24-30(34)32-25-27-18-15-16-21-33(27)4-2;/h15-16,18-21,23H,3-14,17,22,24-25H2,1-2H3;1H