3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide

Systemtic Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-tert-butyl-N-[(1-methyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-tert-butyl-N-[(1-methylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C32H51IN2O2 MolecularWeight: 622.66401

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-16-19-24-36-30-22-21-27(25-29(30)32(2,3)4)31(35)33-26-28-20-17-18-23-34(28)5;/h17-18,20-23,25H,6-16,19,24,26H2,1-5H3;1H