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

Systemtic Name: 2-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C22H24N3O3+ MolecularWeight: 378.44426

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H23N3O3/c26-20-14-18-8-4-5-9-19(18)22(28)25(20)16-21(27)24-12-10-23(11-13-24)15-17-6-2-1-3-7-17/h1-9H,10-16H2/p+1