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

Systemtic Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide Openeye Name: N-[(4-dodecoxy-3-methoxy-phenyl)methyl]-1-methyl-pyridin-1-ium-3-carboxamide iodide CAS Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methyl-3-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(4-dodecoxy-3-methoxyphenyl)methyl]-1-methylpyridin-1-ium-3-carboxamide iodide Traditional Name: N-(4-lauryloxy-3-methoxy-benzyl)-1-methyl-pyridin-1-ium-3-carboxamide iodide Formula: C27H41IN2O3 MolecularWeight: 568.53051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40N2O3.HI/c1-4-5-6-7-8-9-10-11-12-13-19-32-25-17-16-23(20-26(25)31-3)21-28-27(30)24-15-14-18-29(2)22-24;/h14-18,20,22H,4-13,19,21H2,1-3H3;1H