4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3H-phthalazine-1-carboxamide Openeye Name: 4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[3-(1-pyrrolidin-1-iumyl)propyl]-3H-phthalazine-1-carboxamide IUPAC Name: 4-oxo-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-(3-pyrrolidin-1-ium-1-ylpropyl)-3H-phthalazine-1-carboxamide Formula: C16H21N4O2+ MolecularWeight: 301.36354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H20N4O2/c21-15-13-7-2-1-6-12(13)14(18-19-15)16(22)17-8-5-11-20-9-3-4-10-20/h1-2,6-7H,3-5,8-11H2,(H,17,22)(H,19,21)/p+1