N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-tetradecoxy-phenyl)methyl]-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-tetradecoxyphenyl)methyl]-N-phenyl-1-propylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-myristyloxy-benzyl)-N-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C40H59IN2O2 MolecularWeight: 726.81313

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CCC)C(C)(C)C.[I-]

InChI

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