[(2R)-1-(3-azaniumylpropyl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2R)-1-(3-azaniumylpropyl)-4,5-bis(oxidanylidene)-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2R)-1-(3-azaniumylpropyl)-4,5-dioxo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2R)-1-(3-ammoniopropyl)-4,5-dioxo-2-phenyl-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2R)-1-(3-azaniumylpropyl)-4,5-dioxo-2-phenylpyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2R)-1-(3-ammoniopropyl)-4,5-diketo-2-phenyl-pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C20H20N2O3 MolecularWeight: 336.3844

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CCC[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)[C@@H]2C(=C(C3=CC=CC=C3)[O-])C(=O)C(=O)N2CCC[NH3+]

InChI

InChI=1S/C20H20N2O3/c21-12-7-13-22-17(14-8-3-1-4-9-14)16(19(24)20(22)25)18(23)15-10-5-2-6-11-15/h1-6,8-11,17,23H,7,12-13,21H2/t17-/m1/s1