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

Systemtic Name: 2-chloranyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide Openeye Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-tetradecoxy-benzamide iodide CAS Name: 2-chloro-N-[(1-ethyl-2-pyridin-1-iumyl)methyl]-3-tetradecoxybenzamide iodide IUPAC Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-tetradecoxybenzamide iodide Traditional Name: 2-chloro-N-[(1-ethylpyridin-1-ium-2-yl)methyl]-3-myristyloxy-benzamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=CC=CC=[N+]2CC.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=CC=CC(=C1Cl)C(=O)NCC2=CC=CC=[N+]2CC.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-17-23-34-27-21-18-20-26(28(27)30)29(33)31-24-25-19-15-16-22-32(25)4-2;/h15-16,18-22H,3-14,17,23-24H2,1-2H3;1H