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

Systemtic Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]ethanamide iodide Openeye Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide CAS Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-ethyl-3-pyridin-1-iumyl)methyl]acetamide iodide IUPAC Name: 2-(3-tert-butyl-4-decoxyphenyl)-N-[(1-ethylpyridin-1-ium-3-yl)methyl]acetamide iodide Traditional Name: 2-(3-tert-butyl-4-decoxy-phenyl)-N-[(1-ethylpyridin-1-ium-3-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=C[N+](=CC=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)CC(=O)NCC2=C[N+](=CC=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C30H46N2O2.HI/c1-6-8-9-10-11-12-13-14-20-34-28-18-17-25(21-27(28)30(3,4)5)22-29(33)31-23-26-16-15-19-32(7-2)24-26;/h15-19,21,24H,6-14,20,22-23H2,1-5H3;1H