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

Systemtic Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-3-tert-butyl-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-3-tert-butyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C40H57IN2O3 MolecularWeight: 740.79665

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C(C)(C)C.[I-]

InChI

InChI=1S/C40H57N2O3.HI/c1-6-8-9-10-11-12-13-14-15-16-17-23-30-45-37-28-27-34(31-36(37)40(3,4)5)39(44)42(38(43)33-24-19-18-20-25-33)32-35-26-21-22-29-41(35)7-2;/h18-22,24-29,31H,6-17,23,30,32H2,1-5H3;1H/q+1;/p-1