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

Systemtic Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Openeye Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride CAS Name: 1-[4-(3-chlorophenyl)-1-[3-(1-piperidin-1-iumyl)propyl]-4-piperidin-1-iumyl]-1-butanone dichloride IUPAC Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Traditional Name: 1-[4-(3-chlorophenyl)-1-(3-piperidin-1-ium-1-ylpropyl)piperidin-1-ium-4-yl]butan-1-one dichloride Formula: C23H37Cl3N2O MolecularWeight: 463.91168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H35ClN2O.2ClH/c1-2-8-22(27)23(20-9-6-10-21(24)19-20)11-17-26(18-12-23)16-7-15-25-13-4-3-5-14-25;;/h6,9-10,19H,2-5,7-8,11-18H2,1H3;2*1H