3-methyl-5-phenyl-1-propyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-2-carboxamide iodide

Systemtic Name: 3-methyl-5-phenyl-1-propyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-2-carboxamide iodide Openeye Name: 3-methyl-5-phenyl-1-propyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-2-carboxamide iodide CAS Name: 3-methyl-5-phenyl-1-propyl-4-(4-tetradecoxyphenyl)-2-pyridin-1-iumcarboxamide iodide IUPAC Name: 3-methyl-5-phenyl-1-propyl-4-(4-tetradecoxyphenyl)pyridin-1-ium-2-carboxamide iodide Traditional Name: 3-methyl-4-(4-myristyloxyphenyl)-5-phenyl-1-propyl-pyridin-1-ium-2-carboxamide iodide Formula: C36H51IN2O2 MolecularWeight: 670.70681

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=[N+](C=C2C3=CC=CC=C3)CCC)C(=O)N)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=C(C=C1)C2=C(C(=[N+](C=C2C3=CC=CC=C3)CCC)C(=O)N)C.[I-]

InChI

InChI=1S/C36H50N2O2.HI/c1-4-6-7-8-9-10-11-12-13-14-15-19-27-40-32-24-22-31(23-25-32)34-29(3)35(36(37)39)38(26-5-2)28-33(34)30-20-17-16-18-21-30;/h16-18,20-25,28H,4-15,19,26-27H2,1-3H3,(H-,37,39);1H