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

Systemtic Name: N-[(3-chloranyl-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(3-chloro-4-dodecoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-chloro-4-dodecoxyphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(3-chloro-4-lauryloxy-benzyl)-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C26H38ClIN2O2 MolecularWeight: 572.94959

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)C)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CNC(=O)C2=CC=[N+](C=C2)C)Cl.[I-]

InChI

InChI=1S/C26H37ClN2O2.HI/c1-3-4-5-6-7-8-9-10-11-12-19-31-25-14-13-22(20-24(25)27)21-28-26(30)23-15-17-29(2)18-16-23;/h13-18,20H,3-12,19,21H2,1-2H3;1H