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

Systemtic Name: 1-methyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide iodide Openeye Name: 1-methyl-N-[(2-methyl-3-tetradecoxy-phenyl)methyl]pyridin-1-ium-3-carboxamide iodide CAS Name: 1-methyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]-3-pyridin-1-iumcarboxamide iodide IUPAC Name: 1-methyl-N-[(2-methyl-3-tetradecoxyphenyl)methyl]pyridin-1-ium-3-carboxamide iodide Traditional Name: 1-methyl-N-(2-methyl-3-myristyloxy-benzyl)pyridin-1-ium-3-carboxamide iodide Formula: C29H45IN2O2 MolecularWeight: 580.58427

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=C[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1C)CNC(=O)C2=C[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C29H44N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-14-15-22-33-28-20-16-18-26(25(28)2)23-30-29(32)27-19-17-21-31(3)24-27;/h16-21,24H,4-15,22-23H2,1-3H3;1H