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

Systemtic Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: N-[(3-tert-butyl-2-tetradecoxy-phenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: N-[(3-tert-butyl-2-tetradecoxyphenyl)methyl]-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: N-(3-tert-butyl-2-myristyloxy-benzyl)-N-[(1-ethylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C40H59IN2O2 MolecularWeight: 726.81313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=CC=C1C(C)(C)C)CN(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C40H59N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-17-23-31-44-38-35(27-24-29-37(38)40(3,4)5)32-42(39(43)34-25-19-18-20-26-34)33-36-28-21-22-30-41(36)7-2;/h18-22,24-30H,6-17,23,31-33H2,1-5H3;1H/q+1;/p-1