N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide

Systemtic Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(3-methoxy-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-methoxy-4-tetradecoxyphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(3-methoxy-4-myristyloxy-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C29H45IN2O3 MolecularWeight: 596.58367

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-34-27-19-18-25(22-28(27)33-3)23-30-29(32)26-17-16-20-31(2)24-26;/h16-20,22,24H,4-15,21,23H2,1-3H3;1H