(3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one

Systemtic Name: (3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-4-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=C(NN=C2)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C19H26N4O/c1-5-22-8-9-23(15(4)19(22)24)12-17-11-20-21-18(17)16-7-6-13(2)14(3)10-16/h6-7,10-11,15H,5,8-9,12H2,1-4H3,(H,20,21)/p+1/t15-/m0/s1