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

Systemtic Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride Openeye Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride CAS Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis(1-piperidin-1-iumylmethyl)hexane-1,6-dione dichloride IUPAC Name: 1,6-bis(4-ethoxyphenyl)-2,5-bis(piperidin-1-ium-1-ylmethyl)hexane-1,6-dione dichloride Traditional Name: 2,5-bis(piperidin-1-ium-1-ylmethyl)-1,6-bis(p-phenetyl)hexane-1,6-dione dichloride Formula: C34H50Cl2N2O4 MolecularWeight: 621.6778

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OCC)C[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OCC)C[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C34H48N2O4.2ClH/c1-3-39-31-17-13-27(14-18-31)33(37)29(25-35-21-7-5-8-22-35)11-12-30(26-36-23-9-6-10-24-36)34(38)28-15-19-32(20-16-28)40-4-2;;/h13-20,29-30H,3-12,21-26H2,1-2H3;2*1H