2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide

Systemtic Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]ethanamide Openeye Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide CAS Name: 2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxo-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]acetamide IUPAC Name: 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]acetamide Traditional Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]acetamide Formula: C25H29N4O2+ MolecularWeight: 417.52336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C25H28N4O2/c1-18-23(19(2)29(27-18)21-13-7-4-8-14-21)24(30)25(31)26-17-22(28-15-9-10-16-28)20-11-5-3-6-12-20/h3-8,11-14,22H,9-10,15-17H2,1-2H3,(H,26,31)/p+1/t22-/m0/s1