[(2S)-4,5-bis(oxidanylidene)-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)pyrrolidin-3-ylidene]-phenyl-methanolate

Systemtic Name: [(2S)-4,5-bis(oxidanylidene)-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Openeye Name: [(2S)-4,5-dioxo-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)pyrrolidin-3-ylidene]-phenyl-methanolate CAS Name: [(2S)-4,5-dioxo-2-phenyl-1-[2-(1-piperazin-4-iumyl)ethyl]-3-pyrrolidinylidene]-phenylmethanolate IUPAC Name: [(2S)-4,5-dioxo-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)pyrrolidin-3-ylidene]-phenylmethanolate Traditional Name: [(2S)-4,5-diketo-2-phenyl-1-(2-piperazin-4-ium-1-ylethyl)pyrrolidin-3-ylidene]-phenyl-methanolate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCN2C(C(=C(C3=CC=CC=C3)[O-])C(=O)C2=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH2+]1)CCN2[C@H](C(=C(C3=CC=CC=C3)[O-])C(=O)C2=O)C4=CC=CC=C4

InChI

InChI=1S/C23H25N3O3/c27-21(18-9-5-2-6-10-18)19-20(17-7-3-1-4-8-17)26(23(29)22(19)28)16-15-25-13-11-24-12-14-25/h1-10,20,24,27H,11-16H2/t20-/m0/s1