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

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]acetamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=CC=CC=[N+]2CC)C(C)(C)C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-6-8-9-10-11-12-13-16-21-34-28-19-18-25(22-27(28)30(3,4)5)23-29(33)31-24-26-17-14-15-20-32(26)7-2;/h14-15,17-20,22H,6-13,16,21,23-24H2,1-5H3;1H