2-(3-chloranyl-4-tetradecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide

Systemtic Name: 2-(3-chloranyl-4-tetradecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-oxidanylidene-butanamide iodide Openeye Name: 2-(3-chloro-4-tetradecoxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-oxo-butanamide iodide CAS Name: 2-(3-chloro-4-tetradecoxyphenoxy)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3-oxobutanamide iodide IUPAC Name: 2-(3-chloro-4-tetradecoxyphenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-oxobutanamide iodide Traditional Name: 2-(3-chloro-4-myristyloxy-phenoxy)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-keto-butyramide iodide Formula: C32H48ClIN2O4 MolecularWeight: 687.09199

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47ClN2O4.HI/c1-4-6-7-8-9-10-11-12-13-14-15-18-23-38-30-21-20-28(24-29(30)33)39-31(26(3)36)32(37)34-25-27-19-16-17-22-35(27)5-2;/h16-17,19-22,24,31H,4-15,18,23,25H2,1-3H3;1H