1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride

Systemtic Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Openeye Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride CAS Name: 1-[4-(3-chlorophenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-4-piperidin-1-iumyl]ethanone dichloride IUPAC Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Traditional Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Formula: C21H33Cl3N2O MolecularWeight: 435.85852

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCCCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCCCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C21H31ClN2O.2ClH/c1-18(25)21(19-7-5-8-20(22)17-19)9-15-24(16-10-21)14-6-13-23-11-3-2-4-12-23;;/h5,7-8,17H,2-4,6,9-16H2,1H3;2*1H