2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylethanoyl)-9H-xanthen-2-yl]ethanone dichloride

Systemtic Name: 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylethanoyl)-9H-xanthen-2-yl]ethanone dichloride Openeye Name: 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride CAS Name: 1-[7-[1-oxo-2-(1-piperidin-1-iumyl)ethyl]-9H-xanthen-2-yl]-2-(1-piperidin-1-iumyl)ethanone dichloride IUPAC Name: 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride Traditional Name: 2-piperidin-1-ium-1-yl-1-[7-(2-piperidin-1-ium-1-ylacetyl)-9H-xanthen-2-yl]ethanone dichloride Formula: C27H34Cl2N2O3 MolecularWeight: 505.47646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)C[NH+]5CCCCC5.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)C2=CC3=C(C=C2)OC4=C(C3)C=C(C=C4)C(=O)C[NH+]5CCCCC5.[Cl-].[Cl-]

InChI

InChI=1S/C27H32N2O3.2ClH/c30-24(18-28-11-3-1-4-12-28)20-7-9-26-22(15-20)17-23-16-21(8-10-27(23)32-26)25(31)19-29-13-5-2-6-14-29;;/h7-10,15-16H,1-6,11-14,17-19H2;2*1H