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

Systemtic Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(morpholin-4-ium-4-ylmethyl)octane-1,8-dione Openeye Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(morpholin-4-ium-4-ylmethyl)octane-1,8-dione CAS Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(4-morpholin-4-iumylmethyl)octane-1,8-dione IUPAC Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(morpholin-4-ium-4-ylmethyl)octane-1,8-dione Traditional Name: 1,8-bis(4-methoxyphenyl)-2,7-bis(morpholin-4-ium-4-ylmethyl)octane-1,8-dione Formula: C32H46N2O6+2 MolecularWeight: 554.71744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OC)C[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OC)C[NH+]4CCOCC4

InChI

InChI=1S/C32H44N2O6/c1-37-29-11-7-25(8-12-29)31(35)27(23-33-15-19-39-20-16-33)5-3-4-6-28(24-34-17-21-40-22-18-34)32(36)26-9-13-30(38-2)14-10-26/h7-14,27-28H,3-6,15-24H2,1-2H3/p+2