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

Systemtic Name: 2-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-4H-isoquinoline-1,3-quinone Formula: C23H26N3O3+ MolecularWeight: 392.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCN3C(=O)CC4=CC=CC=C4C3=O

InChI

InChI=1S/C23H25N3O3/c27-21(25-14-12-24(13-15-25)17-18-6-2-1-3-7-18)10-11-26-22(28)16-19-8-4-5-9-20(19)23(26)29/h1-9H,10-17H2/p+1