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

Systemtic Name: 4-[(3S)-1-(4-chlorophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile Openeye Name: 4-[(3S)-1-(4-chlorophenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile CAS Name: 4-[(3S)-1-(4-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl]-1-phenyl-1-piperazin-1-iumcarbonitrile IUPAC Name: 4-[(3S)-1-(4-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]-1-phenylpiperazin-1-ium-1-carbonitrile Traditional Name: 4-[(3S)-1-(4-chlorophenyl)-2,5-diketo-pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile Formula: C21H20ClN4O2+ MolecularWeight: 395.8621

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1C2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)(C#N)C4=CC=CC=C4

Isomeric SMILES

C1C[N+](CCN1[C@H]2CC(=O)N(C2=O)C3=CC=C(C=C3)Cl)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClN4O2/c22-16-6-8-17(9-7-16)25-20(27)14-19(21(25)28)24-10-12-26(15-23,13-11-24)18-4-2-1-3-5-18/h1-9,19H,10-14H2/q+1/t19-/m0/s1