4-[(3R)-2,5-bis(oxidanylidene)-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]-2-chloranyl-benzenecarbonitrile

Systemtic Name: 4-[(3R)-2,5-bis(oxidanylidene)-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]-2-chloranyl-benzenecarbonitrile Openeye Name: 2-chloro-4-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-yl-pyrrolidin-1-yl]benzonitrile CAS Name: 2-chloro-4-[(3R)-2,5-dioxo-3-(1-pyrrolidin-1-iumyl)-1-pyrrolidinyl]benzonitrile IUPAC Name: 2-chloro-4-[(3R)-2,5-dioxo-3-pyrrolidin-1-ium-1-ylpyrrolidin-1-yl]benzonitrile Traditional Name: 2-chloro-4-[(3R)-2,5-diketo-3-pyrrolidin-1-ium-1-yl-pyrrolidino]benzonitrile Formula: C15H15ClN3O2+ MolecularWeight: 304.7515

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C2CC(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl

Isomeric SMILES

C1CC[NH+](C1)[C@@H]2CC(=O)N(C2=O)C3=CC(=C(C=C3)C#N)Cl

InChI

InChI=1S/C15H14ClN3O2/c16-12-7-11(4-3-10(12)9-17)19-14(20)8-13(15(19)21)18-5-1-2-6-18/h3-4,7,13H,1-2,5-6,8H2/p+1/t13-/m1/s1