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

Systemtic Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-hexadecoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-hexadecoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-cetyloxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Formula: C36H59IN2O2 MolecularWeight: 678.77033

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H58N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-26-40-34-24-23-31(27-33(34)36(3,4)5)28-35(39)37-29-32-22-21-25-38(7-2)30-32;/h21-25,27,30H,6-20,26,28-29H2,1-5H3;1H