2-[(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(2R)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-1-oxidanylidene-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]isoindoline-1,3-dione CAS Name: 2-[(2R)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-1-oxopropan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(2R)-1-(4-benzhydrylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-2-(4-benzhydrylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]isoindoline-1,3-quinone Formula: C28H28N3O3+ MolecularWeight: 454.54022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C[C@H](C(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C28H27N3O3/c1-20(31-27(33)23-14-8-9-15-24(23)28(31)34)26(32)30-18-16-29(17-19-30)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,20,25H,16-19H2,1H3/p+1/t20-/m1/s1