3,6-bis[5-chloranyl-1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-2-yl]piperazine-2,5-dione

Systemtic Name: 3,6-bis[5-chloranyl-1-oxidanidyl-1-(phenylmethyl)piperidin-1-ium-2-yl]piperazine-2,5-dione Openeye Name: 3,6-bis(1-benzyl-5-chloro-1-oxido-piperidin-1-ium-2-yl)piperazine-2,5-dione CAS Name: 3,6-bis[5-chloro-1-oxido-1-(phenylmethyl)-2-piperidin-1-iumyl]piperazine-2,5-dione IUPAC Name: 3,6-bis(1-benzyl-5-chloro-1-oxidopiperidin-1-ium-2-yl)piperazine-2,5-dione Traditional Name: 3,6-bis(1-benzyl-5-chloro-1-oxido-piperidin-1-ium-2-yl)piperazine-2,5-quinone Formula: C28H34Cl2N4O4 MolecularWeight: 561.49996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([N+](CC1Cl)(CC2=CC=CC=C2)[O-])C3C(=O)NC(C(=O)N3)C4CCC(C[N+]4(CC5=CC=CC=C5)[O-])Cl

Isomeric SMILES

C1CC([N+](CC1Cl)(CC2=CC=CC=C2)[O-])C3C(=O)NC(C(=O)N3)C4CCC(C[N+]4(CC5=CC=CC=C5)[O-])Cl

InChI

InChI=1S/C28H34Cl2N4O4/c29-21-11-13-23(33(37,17-21)15-19-7-3-1-4-8-19)25-27(35)32-26(28(36)31-25)24-14-12-22(30)18-34(24,38)16-20-9-5-2-6-10-20/h1-10,21-26H,11-18H2,(H,31,36)(H,32,35)