N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide

Systemtic Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Openeye Name: N-[(3-tert-butyl-4-dodecoxy-phenyl)methyl]-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide CAS Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenyl-2-pyridin-1-iumcarboxamide iodide IUPAC Name: N-[(3-tert-butyl-4-dodecoxyphenyl)methyl]-1-ethyl-N-phenylpyridin-1-ium-2-carboxamide iodide Traditional Name: N-(3-tert-butyl-4-lauryloxy-benzyl)-1-ethyl-N-phenyl-pyridin-1-ium-2-carboxamide iodide Formula: C37H53IN2O2 MolecularWeight: 684.73339

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)CN(C2=CC=CC=C2)C(=O)C3=CC=CC=[N+]3CC)C(C)(C)C.[I-]

InChI

InChI=1S/C37H53N2O2.HI/c1-6-8-9-10-11-12-13-14-15-21-28-41-35-26-25-31(29-33(35)37(3,4)5)30-39(32-22-17-16-18-23-32)36(40)34-24-19-20-27-38(34)7-2;/h16-20,22-27,29H,6-15,21,28,30H2,1-5H3;1H/q+1;/p-1