1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride

Systemtic Name: 1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride Openeye Name: 1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride CAS Name: 1,6-bis(4-methoxyphenyl)-2,5-bis(1-piperidin-1-iumylmethyl)hexane-1,6-dione dichloride IUPAC Name: 1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride Traditional Name: 1,6-bis(4-methoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride Formula: C32H46Cl2N2O4 MolecularWeight: 593.62464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OC)C[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OC)C[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C32H44N2O4.2ClH/c1-37-29-15-11-25(12-16-29)31(35)27(23-33-19-5-3-6-20-33)9-10-28(24-34-21-7-4-8-22-34)32(36)26-13-17-30(38-2)18-14-26;;/h11-18,27-28H,3-10,19-24H2,1-2H3;2*1H