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

Systemtic Name: 3-chloranyl-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide Openeye Name: 3-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxy-benzamide iodide CAS Name: 3-chloro-N-[(1-ethyl-4-pyridin-1-iumyl)methyl]-4-tetradecoxybenzamide iodide IUPAC Name: 3-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-tetradecoxybenzamide iodide Traditional Name: 3-chloro-N-[(1-ethylpyridin-1-ium-4-yl)methyl]-4-myristyloxy-benzamide iodide Formula: C29H44ClIN2O2 MolecularWeight: 615.02933

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)Cl.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)NCC2=CC=[N+](C=C2)CC)Cl.[I-]

InChI

InChI=1S/C29H43ClN2O2.HI/c1-3-5-6-7-8-9-10-11-12-13-14-15-22-34-28-17-16-26(23-27(28)30)29(33)31-24-25-18-20-32(4-2)21-19-25;/h16-21,23H,3-15,22,24H2,1-2H3;1H