4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione

Systemtic Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2-methylpropyl)-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2-methylpropyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-(4-isobutylpiperazin-4-ium-1-yl)-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C21H28N5O2+ MolecularWeight: 382.47932

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CCN4C=CC=N4

Isomeric SMILES

CC(C)C[NH+]1CCN(CC1)C2=CC=CC3=C2C(=O)N(C3=O)CCN4C=CC=N4

InChI

InChI=1S/C21H27N5O2/c1-16(2)15-23-9-11-24(12-10-23)18-6-3-5-17-19(18)21(28)26(20(17)27)14-13-25-8-4-7-22-25/h3-8,16H,9-15H2,1-2H3/p+1