2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]-4H-isoquinoline-1,3-quinone Formula: C20H21N4O3+ MolecularWeight: 365.40574

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H20N4O3/c25-18-13-15-5-1-2-6-16(15)20(27)24(18)14-19(26)23-11-9-22(10-12-23)17-7-3-4-8-21-17/h1-8H,9-14H2/p+1