4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-N-(phenylcarbonyl)benzamide iodide

Systemtic Name: 4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-N-(phenylcarbonyl)benzamide iodide Openeye Name: N-benzoyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methyl-benzamide iodide CAS Name: N-benzoyl-4-dodecoxy-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-2-methylbenzamide iodide IUPAC Name: N-benzoyl-4-dodecoxy-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-2-methylbenzamide iodide Traditional Name: N-benzoyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-lauryloxy-2-methyl-benzamide iodide Formula: C35H47IN2O3 MolecularWeight: 670.66375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C35H47N2O3.HI/c1-4-6-7-8-9-10-11-12-13-19-26-40-32-23-24-33(29(3)27-32)35(39)37(34(38)30-20-15-14-16-21-30)28-31-22-17-18-25-36(31)5-2;/h14-18,20-25,27H,4-13,19,26,28H2,1-3H3;1H/q+1;/p-1