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

Systemtic Name: 1,4-bis[4-(phenylmethyl)piperazin-4-ium-1-yl]butane-1,4-dione Openeye Name: 1,4-bis(4-benzylpiperazin-4-ium-1-yl)butane-1,4-dione CAS Name: 1,4-bis[4-(phenylmethyl)-1-piperazin-4-iumyl]butane-1,4-dione IUPAC Name: 1,4-bis(4-benzylpiperazin-4-ium-1-yl)butane-1,4-dione Traditional Name: 1,4-bis(4-benzylpiperazin-4-ium-1-yl)butane-1,4-dione Formula: C26H36N4O2+2 MolecularWeight: 436.58964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O2/c31-25(29-17-13-27(14-18-29)21-23-7-3-1-4-8-23)11-12-26(32)30-19-15-28(16-20-30)22-24-9-5-2-6-10-24/h1-10H,11-22H2/p+2