1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethane-1,2-dione

Systemtic Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Openeye Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethane-1,2-dione CAS Name: 1-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethane-1,2-dione IUPAC Name: 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Traditional Name: 1-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethane-1,2-dione Formula: C23H30N5O3+ MolecularWeight: 424.516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)N3CC[NH+](CC3)CC(=O)N4CCCC4

InChI

InChI=1S/C23H29N5O3/c1-17-21(18(2)28(24-17)19-8-4-3-5-9-19)22(30)23(31)27-14-12-25(13-15-27)16-20(29)26-10-6-7-11-26/h3-5,8-9H,6-7,10-16H2,1-2H3/p+1