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

Systemtic Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 3-tert-butyl-4-dodecoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 3-tert-butyl-4-dodecoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 3-tert-butyl-4-lauryloxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Formula: C30H47IN2O2 MolecularWeight: 594.61085

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H46N2O2.HI/c1-6-7-8-9-10-11-12-13-14-15-21-34-28-19-18-26(22-27(28)30(2,3)4)29(33)31-23-25-17-16-20-32(5)24-25;/h16-20,22,24H,6-15,21,23H2,1-5H3;1H