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

Systemtic Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione Openeye Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione CAS Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(1-piperidin-1-iumylmethyl)octane-1,8-dione IUPAC Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione Traditional Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(piperidin-1-ium-1-ylmethyl)octane-1,8-dione Formula: C40H62N2O4+2 MolecularWeight: 634.93128

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OCCCC)C[NH+]4CCCCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C[NH+]2CCCCC2)C(=O)C3=CC=C(C=C3)OCCCC)C[NH+]4CCCCC4

InChI

InChI=1S/C40H60N2O4/c1-3-5-29-45-37-21-17-33(18-22-37)39(43)35(31-41-25-11-7-12-26-41)15-9-10-16-36(32-42-27-13-8-14-28-42)40(44)34-19-23-38(24-20-34)46-30-6-4-2/h17-24,35-36H,3-16,25-32H2,1-2H3/p+2