1-methyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide

Systemtic Name: 1-methyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-methyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide CAS Name: 1-methyl-N-[(4-tetradecoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-[(4-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Traditional Name: 1-methyl-N-(4-myristyloxybenzyl)pyridin-1-ium-3-carboxamide iodide Formula: C28H43IN2O2 MolecularWeight: 566.55769

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-14-22-32-27-19-17-25(18-20-27)23-29-28(31)26-16-15-21-30(2)24-26;/h15-21,24H,3-14,22-23H2,1-2H3;1H