1-[(3R)-2,5-bis(oxidanylidene)-1-(2-phenylsulfanylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[(3R)-2,5-bis(oxidanylidene)-1-(2-phenylsulfanylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Openeye Name: 1-[(3R)-2,5-dioxo-1-(2-phenylsulfanylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide CAS Name: 1-[(3R)-2,5-dioxo-1-[2-(phenylthio)phenyl]-3-pyrrolidinyl]-4-piperidin-1-iumcarboxamide IUPAC Name: 1-[(3R)-2,5-dioxo-1-(2-phenylsulfanylphenyl)pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Traditional Name: 1-[(3R)-2,5-diketo-1-[2-(phenylthio)phenyl]pyrrolidin-3-yl]piperidin-1-ium-4-carboxamide Formula: C22H24N3O3S+ MolecularWeight: 410.50926

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N)C2CC(=O)N(C2=O)C3=CC=CC=C3SC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1C(=O)N)[C@@H]2CC(=O)N(C2=O)C3=CC=CC=C3SC4=CC=CC=C4

InChI

InChI=1S/C22H23N3O3S/c23-21(27)15-10-12-24(13-11-15)18-14-20(26)25(22(18)28)17-8-4-5-9-19(17)29-16-6-2-1-3-7-16/h1-9,15,18H,10-14H2,(H2,23,27)/p+1/t18-/m1/s1