(3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-2-one

Systemtic Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-2-one Openeye Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-2-one CAS Name: (3R)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-(2-pyridin-4-ylethyl)-2-piperazin-4-iumone IUPAC Name: (3R)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-(2-pyridin-4-ylethyl)piperazin-4-ium-2-one Traditional Name: (3R)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-[2-(4-pyridyl)ethyl]piperazin-4-ium-2-one Formula: C22H26N5O+ MolecularWeight: 376.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH+]3CCC4=CC=NC=C4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@@H]3C(=O)NCC[NH+]3CCC4=CC=NC=C4

InChI

InChI=1S/C22H25N5O/c1-16-20(17(2)27(25-16)19-6-4-3-5-7-19)21-22(28)24-13-15-26(21)14-10-18-8-11-23-12-9-18/h3-9,11-12,21H,10,13-15H2,1-2H3,(H,24,28)/p+1/t21-/m1/s1