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

Systemtic Name: 4-bromanyl-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 4-bromo-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 4-bromo-1-[(4-ethyl-1-piperazin-4-iumyl)methyl]indole-2,3-dione IUPAC Name: 4-bromo-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 4-bromo-1-[(4-ethylpiperazin-4-ium-1-yl)methyl]isatin Formula: C15H19BrN3O2+ MolecularWeight: 353.23426

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

Isomeric SMILES

CC[NH+]1CCN(CC1)CN2C3=C(C(=CC=C3)Br)C(=O)C2=O

InChI

InChI=1S/C15H18BrN3O2/c1-2-17-6-8-18(9-7-17)10-19-12-5-3-4-11(16)13(12)14(20)15(19)21/h3-5H,2,6-10H2,1H3/p+1