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

Systemtic Name: 2-(2-hydroxyethyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione Openeye Name: 2-(2-hydroxyethyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-dione CAS Name: 2-(2-hydroxyethyl)-6-(1-piperazin-4-iumyl)benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-(2-hydroxyethyl)-6-piperazin-4-ium-1-ylbenzo[de]isoquinoline-1,3-dione Traditional Name: 2-(2-hydroxyethyl)-6-piperazin-4-ium-1-yl-benzo[de]isoquinoline-1,3-quinone Formula: C18H20N3O3+ MolecularWeight: 326.3697

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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)CCO

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O3/c22-11-10-21-17(23)13-3-1-2-12-15(20-8-6-19-7-9-20)5-4-14(16(12)13)18(21)24/h1-5,19,22H,6-11H2/p+1