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

Systemtic Name: 4-[(3S)-1-(3-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3S)-1-(3-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3S)-1-(3-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3S)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(3S)-1-(3-chlorophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C15H17ClN3O3+ MolecularWeight: 322.76678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16ClN3O3/c16-11-2-1-3-12(8-11)19-14(21)9-13(15(19)22)18-6-4-17(10-20)5-7-18/h1-3,8,10,13H,4-7,9H2/p+1/t13-/m0/s1