(3R)-3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-[2-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-[2-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-[2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C23H30N4O2+2 MolecularWeight: 394.5099

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=O)C([NH2+]1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1CNC(=O)[C@H]([NH2+]1)CC(=O)N2CC[NH+](CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O2/c28-21(17-20-23(29)25-12-11-24-20)26-13-15-27(16-14-26)22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,20,22,24H,11-17H2,(H,25,29)/p+2/t20-/m1/s1