7-bromanyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 7-bromanyl-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 7-bromo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 7-bromo-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]indole-2,3-dione IUPAC Name: 7-bromo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 7-bromo-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]isatin Formula: C19H19BrN3O2+ MolecularWeight: 401.27706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC=C3Br)C(=O)C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC=C3Br)C(=O)C2=O)C4=CC=CC=C4

InChI

InChI=1S/C19H18BrN3O2/c20-16-8-4-7-15-17(16)23(19(25)18(15)24)13-21-9-11-22(12-10-21)14-5-2-1-3-6-14/h1-8H,9-13H2/p+1