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

Systemtic Name: 4-[(3R)-1-(4-methoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile Openeye Name: 4-[(3R)-1-(4-methoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile CAS Name: 4-[(3R)-1-(4-methoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]-1-phenyl-1-piperazin-1-iumcarbonitrile IUPAC Name: 4-[(3R)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-1-phenylpiperazin-1-ium-1-carbonitrile Traditional Name: 4-[(3R)-2,5-diketo-1-(4-methoxyphenyl)pyrrolidin-3-yl]-1-phenyl-piperazin-1-ium-1-carbonitrile Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=O)CC(C2=O)N3CC[N+](CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=O)C[C@H](C2=O)N3CC[N+](CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H23N4O3/c1-29-19-9-7-17(8-10-19)25-21(27)15-20(22(25)28)24-11-13-26(16-23,14-12-24)18-5-3-2-4-6-18/h2-10,20H,11-15H2,1H3/q+1/t20-/m1/s1