4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-methyl-2-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-methylpyridin-1-ium-2-yl)methyl]benzamide iodide Formula: C27H41IN2O3 MolecularWeight: 568.53051

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=CC=[N+]2C)OC.[I-]

InChI

InChI=1S/C27H40N2O3.HI/c1-4-5-6-7-8-9-10-11-12-15-20-32-25-18-17-23(21-26(25)31-3)27(30)28-22-24-16-13-14-19-29(24)2;/h13-14,16-19,21H,4-12,15,20,22H2,1-3H3;1H