CT-3318

[2-[(1-methylpiperidin-1-ium-1-yl)methyl]-2,3-dihydro-1-benzofuran-5-yl]-[2-[(1-methylpiperidin-1-ium-1-yl)methyl]-2,3-dihydro-1-benzofuran-6-yl]methanone diiodide

Also Known As: CT 3318|CT-3318|Diiodometilato del bispiperidinometilcumaranil-5-chetone|Diiodometilato del bispiperidinometilcumaranil-5-chetone [Italian]|Diiodomethylate de la bis(piperidinomethyl-coumaranyl-5)cetone|Diiodomethylate de la bis(piperidinomethyl-coumaranyl-5)cetone [French]|Bis(2,3-dihydro-2-piperidinomethyl-5-benzofuranyl)ketone dimethiodide|Piperidinium, 1,1'-(carbonylbis((2,3-dihydro-5,2-benzofurandiyl)methylene))bis(1-methyl-, diiodide|[2-[(1-methylpiperidin-1-ium-1-yl)methyl]-2,3-dihydro-1-benzofuran-5-yl]-[2-[(1-methylpiperidin-1-ium-1-yl)methyl]-2,3-dihydro-1-benzofuran-6-yl]methanone diiodide|1-METHYL-1-[(6-{2-[(1-METHYLPIPERIDIN-1-IUM-1-YL)METHYL]-2,3-DIHYDRO-1-BENZOFURAN-5-CARBONYL}-2,3-DIHYDRO-1-BENZOFURAN-2-YL)METHYL]PIPERIDIN-1-IUM DIIODIDE|Piperidinium, 1,1'-[carbonylbis[(2,3-dihydro-5,2-benzofurandiyl)methylene]]bis[1-methyl-, diiodide

Molecular Formula	C31H42I2N2O3
Molecular Weight	744.1285 g/mol
LogP	-1.2064
Topological Polar Surface Area	35.5 Ų
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	5
Rotatable Bonds	6
Exact Mass	744.1285
Monoisotopic Mass	744.1285
Heavy Atoms	38
Complexity	774.0

Chemical Identifiers

CAS Number	10380-77-5
SMILES	C[N+]1(CCCCC1)CC2CC3=C(O2)C=C(C=C3)C(=O)C4=CC5=C(C=C4)OC(C5)C[N+]6(CCCCC6)C.[I-].[I-]
InChIKey	FYKFHSSTYIVTMD-UHFFFAOYSA-L