2-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione

Systemtic Name: 2-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Openeye Name: 2-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]propyl]isoindole-1,3-dione Traditional Name: 2-[3-keto-3-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]propyl]isoindoline-1,3-quinone Formula: C21H23N4O3+ MolecularWeight: 379.43232

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H22N4O3/c26-19(7-10-25-20(27)17-3-1-2-4-18(17)21(25)28)24-13-11-23(12-14-24)15-16-5-8-22-9-6-16/h1-6,8-9H,7,10-15H2/p+1