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

Systemtic Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-tert-butyl-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C33H53IN2O2 MolecularWeight: 636.69059

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C33H52N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-18-25-37-31-20-19-29(26-30(31)33(3,4)5)32(36)34-27-28-21-23-35(7-2)24-22-28;/h19-24,26H,6-18,25,27H2,1-5H3;1H