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

Systemtic Name: 1,8-bis(4-methoxyphenyl)-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione dichloride Openeye Name: 1,8-bis(4-methoxyphenyl)-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione dichloride CAS Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(1-piperidin-1-iumyl)octane-1,8-dione dichloride IUPAC Name: 1,8-bis(4-methoxyphenyl)-2,7-di(piperidin-1-ium-1-yl)octane-1,8-dione dichloride Traditional Name: 1,8-bis(4-methoxyphenyl)-2,7-di(piperidin-1-ium-1-yl)octane-1,8-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(CCCCC(C(=O)C2=CC=C(C=C2)OC)[NH+]3CCCCC3)[NH+]4CCCCC4.[Cl-].[Cl-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CCCCC(C(=O)C2=CC=C(C=C2)OC)[NH+]3CCCCC3)[NH+]4CCCCC4.[Cl-].[Cl-]

InChI

InChI=1S/C32H44N2O4.2ClH/c1-37-27-17-13-25(14-18-27)31(35)29(33-21-7-3-8-22-33)11-5-6-12-30(34-23-9-4-10-24-34)32(36)26-15-19-28(38-2)20-16-26;;/h13-20,29-30H,3-12,21-24H2,1-2H3;2*1H