1,6-bis[4-(phenylmethyl)piperazin-4-ium-1-yl]hexane-1,6-dione

Systemtic Name: 1,6-bis[4-(phenylmethyl)piperazin-4-ium-1-yl]hexane-1,6-dione Openeye Name: 1,6-bis(4-benzylpiperazin-4-ium-1-yl)hexane-1,6-dione CAS Name: 1,6-bis[4-(phenylmethyl)-1-piperazin-4-iumyl]hexane-1,6-dione IUPAC Name: 1,6-bis(4-benzylpiperazin-4-ium-1-yl)hexane-1,6-dione Traditional Name: 1,6-bis(4-benzylpiperazin-4-ium-1-yl)hexane-1,6-dione Formula: C28H40N4O2+2 MolecularWeight: 464.6428

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCCC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C28H38N4O2/c33-27(31-19-15-29(16-20-31)23-25-9-3-1-4-10-25)13-7-8-14-28(34)32-21-17-30(18-22-32)24-26-11-5-2-6-12-26/h1-6,9-12H,7-8,13-24H2/p+2