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

Systemtic Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Openeye Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-dione CAS Name: 4-[4-(2-ethylbutyl)-1-piperazin-4-iumyl]-2-[2-(1-pyrazolyl)ethyl]isoindole-1,3-dione IUPAC Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindole-1,3-dione Traditional Name: 4-[4-(2-ethylbutyl)piperazin-4-ium-1-yl]-2-(2-pyrazol-1-ylethyl)isoindoline-1,3-quinone Formula: C23H32N5O2+ MolecularWeight: 410.53248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N5O2/c1-3-18(4-2)17-25-11-13-26(14-12-25)20-8-5-7-19-21(20)23(30)28(22(19)29)16-15-27-10-6-9-24-27/h5-10,18H,3-4,11-17H2,1-2H3/p+1