4-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde

Systemtic Name: 4-[(3S)-2,5-bis(oxidanylidene)-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3S)-2,5-dioxo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3S)-2,5-dioxo-1-phenyl-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3S)-2,5-dioxo-1-phenylpyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(3S)-2,5-diketo-1-phenyl-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C15H18N3O3+ MolecularWeight: 288.32172

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C2CC(=O)N(C2=O)C3=CC=CC=C3)C=O

Isomeric SMILES

C1CN(CC[NH+]1[C@H]2CC(=O)N(C2=O)C3=CC=CC=C3)C=O

InChI

InChI=1S/C15H17N3O3/c19-11-16-6-8-17(9-7-16)13-10-14(20)18(15(13)21)12-4-2-1-3-5-12/h1-5,11,13H,6-10H2/p+1/t13-/m0/s1