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

Systemtic Name: 3-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-N-(phenylcarbonyl)-4-tetradecoxy-benzamide iodide Openeye Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: N-benzoyl-3-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: N-benzoyl-3-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C36H48ClIN2O3 MolecularWeight: 719.13539

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)N(CC2=CC=CC=[N+]2CC)C(=O)C3=CC=CC=C3)Cl.[I-]

InChI

InChI=1S/C36H48ClN2O3.HI/c1-3-5-6-7-8-9-10-11-12-13-14-20-27-42-34-25-24-31(28-33(34)37)36(41)39(35(40)30-21-16-15-17-22-30)29-32-23-18-19-26-38(32)4-2;/h15-19,21-26,28H,3-14,20,27,29H2,1-2H3;1H/q+1;/p-1