1-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione

Systemtic Name: 1-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Openeye Name: 1-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indoline-2,3-dione CAS Name: 1-[[4-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methyl]indole-2,3-dione IUPAC Name: 1-[[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]indole-2,3-dione Traditional Name: 1-[[4-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methyl]isatin Formula: C25H28N5O2+ MolecularWeight: 430.52212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+]3CCN(CC3)CN4C5=CC=CC=C5C(=O)C4=O

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C[NH+]3CCN(CC3)CN4C5=CC=CC=C5C(=O)C4=O

InChI

InChI=1S/C25H27N5O2/c1-18-22(19(2)30(26-18)20-8-4-3-5-9-20)16-27-12-14-28(15-13-27)17-29-23-11-7-6-10-21(23)24(31)25(29)32/h3-11H,12-17H2,1-2H3/p+1