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

Systemtic Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Openeye Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide CAS Name: 4-dodecoxy-3-methoxy-N-[(1-methyl-3-pyridin-1-iumyl)methyl]benzamide iodide IUPAC Name: 4-dodecoxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-yl)methyl]benzamide iodide Traditional Name: 4-lauryloxy-3-methoxy-N-[(1-methylpyridin-1-ium-3-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=C[N+](=CC=C2)C)OC.[I-]

Isomeric SMILES

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

InChI

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