2-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-3H-isoindol-1-one

Systemtic Name: 2-[4-oxidanylidene-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-3H-isoindol-1-one Openeye Name: 2-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]isoindolin-1-one CAS Name: 2-[4-oxo-4-[4-(2-pyridin-1-iumyl)-1-piperazinyl]butyl]-3H-isoindol-1-one IUPAC Name: 2-[4-oxo-4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)butyl]-3H-isoindol-1-one Traditional Name: 2-[4-keto-4-(4-pyridin-1-ium-2-ylpiperazino)butyl]isoindolin-1-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCCN3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H24N4O2/c26-20(24-14-12-23(13-15-24)19-8-3-4-10-22-19)9-5-11-25-16-17-6-1-2-7-18(17)21(25)27/h1-4,6-8,10H,5,9,11-16H2/p+1