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

Systemtic Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Openeye Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride CAS Name: 1-[4-(3-chlorophenyl)-1-[3-(4-morpholin-4-iumyl)propyl]-4-piperidin-1-iumyl]ethanone dichloride IUPAC Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Traditional Name: 1-[4-(3-chlorophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)piperidin-1-ium-4-yl]ethanone dichloride Formula: C20H31Cl3N2O2 MolecularWeight: 437.83134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

Isomeric SMILES

CC(=O)C1(CC[NH+](CC1)CCC[NH+]2CCOCC2)C3=CC(=CC=C3)Cl.[Cl-].[Cl-]

InChI

InChI=1S/C20H29ClN2O2.2ClH/c1-17(24)20(18-4-2-5-19(21)16-18)6-10-22(11-7-20)8-3-9-23-12-14-25-15-13-23;;/h2,4-5,16H,3,6-15H2,1H3;2*1H