5-nitro-2-(2-pyrrolidin-1-ium-1-ylethyl)benzo[de]isoquinoline-1,3-dione

Systemtic Name: 5-nitro-2-(2-pyrrolidin-1-ium-1-ylethyl)benzo[de]isoquinoline-1,3-dione Openeye Name: 5-nitro-2-(2-pyrrolidin-1-ium-1-ylethyl)benzo[de]isoquinoline-1,3-dione CAS Name: 5-nitro-2-[2-(1-pyrrolidin-1-iumyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 5-nitro-2-(2-pyrrolidin-1-ium-1-ylethyl)benzo[de]isoquinoline-1,3-dione Traditional Name: 5-nitro-2-(2-pyrrolidin-1-ium-1-ylethyl)benzo[de]isoquinoline-1,3-quinone Formula: C18H18N3O4+ MolecularWeight: 340.35322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C(=O)C3=CC=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2/p+1