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

Systemtic Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one Openeye Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one CAS Name: (3S)-3-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-piperazin-4-iumone IUPAC Name: (3S)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-4-ium-2-one Traditional Name: (3S)-3-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)piperazin-4-ium-2-one Formula: C15H19N4O+ MolecularWeight: 271.33756

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C3C(=O)NCC[NH2+]3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)[C@H]3C(=O)NCC[NH2+]3

InChI

InChI=1S/C15H18N4O/c1-10-13(14-15(20)17-9-8-16-14)11(2)19(18-10)12-6-4-3-5-7-12/h3-7,14,16H,8-9H2,1-2H3,(H,17,20)/p+1/t14-/m0/s1