(3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxidanylidene-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-oxo-2-[(2R)-2-(2-thienyl)pyrrolidin-1-yl]ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-[2-oxo-2-[(2R)-2-thiophen-2-yl-1-pyrrolidinyl]ethyl]-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-[2-oxo-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]ethyl]piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-keto-2-[(2R)-2-(2-thienyl)pyrrolidino]ethyl]piperazin-4-ium-2-one Formula: C25H30N5O2S+ MolecularWeight: 464.603

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CC(=O)N4CCCC4C5=CC=CS5

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CC(=O)N4CCC[C@@H]4C5=CC=CS5

InChI

InChI=1S/C25H29N5O2S/c1-17-23(18(2)30(27-17)19-8-4-3-5-9-19)24-25(32)26-12-14-28(24)16-22(31)29-13-6-10-20(29)21-11-7-15-33-21/h3-5,7-9,11,15,20,24H,6,10,12-14,16H2,1-2H3,(H,26,32)/p+1/t20-,24-/m1/s1