5-propan-2-yl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione

Systemtic Name: 5-propan-2-yl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Openeye Name: 5-isopropyl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indoline-2,3-dione CAS Name: 5-propan-2-yl-1-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]indole-2,3-dione IUPAC Name: 5-propan-2-yl-1-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]indole-2,3-dione Traditional Name: 5-isopropyl-1-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]isatin Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=O)C2=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H23N5O2/c1-14(2)15-4-5-17-16(12-15)18(26)19(27)25(17)13-23-8-10-24(11-9-23)20-21-6-3-7-22-20/h3-7,12,14H,8-11,13H2,1-2H3/p+1