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

Systemtic Name: 4-oxidanylidene-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Openeye Name: 4-oxo-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide CAS Name: 4-oxo-3-phenyl-N-[3-(1-pyrrolidin-1-iumyl)propyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Traditional Name: 4-keto-3-phenyl-N-(3-pyrrolidin-1-ium-1-ylpropyl)phthalazine-1-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCCNC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O2/c27-21(23-13-8-16-25-14-6-7-15-25)20-18-11-4-5-12-19(18)22(28)26(24-20)17-9-2-1-3-10-17/h1-5,9-12H,6-8,13-16H2,(H,23,27)/p+1