1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride

Systemtic Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Openeye Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride CAS Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(1-piperidin-1-iumylmethyl)octane-1,8-dione dichloride IUPAC Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Traditional Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione dichloride Formula: C34H50Cl2N2O4 MolecularWeight: 621.6778

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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