6-piperazin-4-ium-1-yl-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 6-piperazin-4-ium-1-yl-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Openeye Name: 6-piperazin-4-ium-1-yl-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione CAS Name: 6-(1-piperazin-4-iumyl)-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 6-piperazin-4-ium-1-yl-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-dione Traditional Name: 6-piperazin-4-ium-1-yl-2-(1,2,4-triazol-4-yl)benzo[de]isoquinoline-1,3-quinone Formula: C18H17N6O2+ MolecularWeight: 349.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)N5C=NN=C5

Isomeric SMILES

C1CN(CC[NH2+]1)C2=C3C=CC=C4C3=C(C=C2)C(=O)N(C4=O)N5C=NN=C5

InChI

InChI=1S/C18H16N6O2/c25-17-13-3-1-2-12-15(22-8-6-19-7-9-22)5-4-14(16(12)13)18(26)24(17)23-10-20-21-11-23/h1-5,10-11,19H,6-9H2/p+1