3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-4-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-lauryloxy-benzamide iodide Formula: C31H49IN2O2 MolecularWeight: 608.63743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)C(C)(C)C.[I-]

InChI

InChI=1S/C31H48N2O2.HI/c1-6-8-9-10-11-12-13-14-15-16-23-35-29-18-17-27(24-28(29)31(3,4)5)30(34)32-25-26-19-21-33(7-2)22-20-26;/h17-22,24H,6-16,23,25H2,1-5H3;1H