3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: 3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-decoxy-N-[(1-methyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-decoxy-N-[(1-methylpyridin-1-ium-4-yl)methyl]benzamide iodide Formula: C28H43IN2O2 MolecularWeight: 566.55769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2.HI/c1-6-7-8-9-10-11-12-13-20-32-26-15-14-24(21-25(26)28(2,3)4)27(31)29-22-23-16-18-30(5)19-17-23;/h14-19,21H,6-13,20,22H2,1-5H3;1H