2-[4-oxidanylidene-4-(4-pyridin-1-ium-4-ylpiperazin-1-yl)butyl]isoindole-1,3-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)CCCN3C(=O)C4=CC=CC=C4C3=O

InChI

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