1-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]indoline-2,3-dione CAS Name: 1-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]indole-2,3-dione Traditional Name: 1-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]isatin Formula: C26H27N3O2+2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CC[NH+]1CN2C3=CC=CC=C3C(=O)C2=O)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H25N3O2/c30-25-22-13-7-8-14-23(22)29(26(25)31)19-27-15-17-28(18-16-27)24(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,24H,15-19H2/p+2