N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide

Systemtic Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide Openeye Name: N-[(4-dodecoxy-2-methyl-phenyl)methyl]-1-methyl-pyridin-1-ium-4-carboxamide iodide CAS Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methyl-4-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-2-methylphenyl)methyl]-1-methylpyridin-1-ium-4-carboxamide iodide Traditional Name: N-(4-lauryloxy-2-methyl-benzyl)-1-methyl-pyridin-1-ium-4-carboxamide iodide Formula: C27H41IN2O2 MolecularWeight: 552.53111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O2.HI/c1-4-5-6-7-8-9-10-11-12-13-20-31-26-15-14-25(23(2)21-26)22-28-27(30)24-16-18-29(3)19-17-24;/h14-19,21H,4-13,20,22H2,1-3H3;1H