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

Systemtic Name: 5-bromanyl-1-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromo-indoline-2,3-dione CAS Name: 5-bromo-1-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]indole-2,3-dione IUPAC Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromoindole-2,3-dione Traditional Name: 1-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-5-bromo-isatin Formula: C20H22BrN3O2+2 MolecularWeight: 416.31158

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC=CC=C2)CN3C4=C(C=C(C=C4)Br)C(=O)C3=O

InChI

InChI=1S/C20H20BrN3O2/c21-16-6-7-18-17(12-16)19(25)20(26)24(18)14-23-10-8-22(9-11-23)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2/p+2