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

Systemtic Name: N-[(3-chloranyl-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-chloro-4-tetradecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-tetradecoxyphenyl)methyl]-1-methylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-chloro-4-myristyloxy-benzyl)-1-methyl-pyridin-1-ium-2-carboxamide iodide Formula: C28H42ClIN2O2 MolecularWeight: 601.00275

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=CC=[N+]2C)Cl.[I-]

InChI

InChI=1S/C28H41ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-13-16-21-33-27-19-18-24(22-25(27)29)23-30-28(32)26-17-14-15-20-31(26)2;/h14-15,17-20,22H,3-13,16,21,23H2,1-2H3;1H