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

Systemtic Name: 4-[(3S)-1-(4-bromophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Openeye Name: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde CAS Name: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-piperazin-4-iumcarboxaldehyde IUPAC Name: 4-[(3S)-1-(4-bromophenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Traditional Name: 4-[(3S)-1-(4-bromophenyl)-2,5-diketo-pyrrolidin-3-yl]piperazin-4-ium-1-carbaldehyde Formula: C15H17BrN3O3+ MolecularWeight: 367.21778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3/c16-11-1-3-12(4-2-11)19-14(21)9-13(15(19)22)18-7-5-17(10-20)6-8-18/h1-4,10,13H,5-9H2/p+1/t13-/m0/s1