4-oxidanylidene-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-N-[(3R)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]-3H-phthalazine-1-carboxamide Openeye Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: 4-oxo-N-[(3R)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]-3H-phthalazine-1-carboxamide IUPAC Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: N-[(3R)-1-benzylpyrrolidin-1-ium-3-yl]-4-keto-3H-phthalazine-1-carboxamide Formula: C20H21N4O2+ MolecularWeight: 349.40634

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](C[C@@H]1NC(=O)C2=NNC(=O)C3=CC=CC=C32)CC4=CC=CC=C4

InChI

InChI=1S/C20H20N4O2/c25-19-17-9-5-4-8-16(17)18(22-23-19)20(26)21-15-10-11-24(13-15)12-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,26)(H,23,25)/p+1/t15-/m1/s1