1,8-diphenyl-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride

Systemtic Name: 1,8-diphenyl-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Openeye Name: 1,8-diphenyl-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride CAS Name: 1,8-diphenyl-2,7-bis(1-piperidin-1-iumylmethyl)octane-1,8-dione dichloride IUPAC Name: 1,8-diphenyl-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Traditional Name: 1,8-diphenyl-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Formula: C32H46Cl2N2O2 MolecularWeight: 561.62584

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(CCCCC(C[NH+]2CCCCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CC(CCCCC(C[NH+]2CCCCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C32H44N2O2.2ClH/c35-31(27-15-5-1-6-16-27)29(25-33-21-11-3-12-22-33)19-9-10-20-30(26-34-23-13-4-14-24-34)32(36)28-17-7-2-8-18-28;;/h1-2,5-8,15-18,29-30H,3-4,9-14,19-26H2;2*1H