[5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]methanone

Systemtic Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-propan-2-yl-piperazin-4-ium-1-yl]methanone Openeye Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]methanone CAS Name: [5-[(3,5-dimethyl-1-pyrazolyl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-propan-2-yl-1-piperazin-4-iumyl]methanone IUPAC Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-4-methyl-2-propan-2-ylpiperazin-4-ium-1-yl]methanone Traditional Name: [5-[(3,5-dimethylpyrazol-1-yl)methyl]-1H-pyrazol-3-yl]-[(2S)-2-isopropyl-4-methyl-piperazin-4-ium-1-yl]methanone Formula: C18H29N6O+ MolecularWeight: 345.46246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CC2=CC(=NN2)C(=O)N3CC[NH+](CC3C(C)C)C)C

Isomeric SMILES

CC1=CC(=NN1CC2=CC(=NN2)C(=O)N3CC[NH+](C[C@@H]3C(C)C)C)C

InChI

InChI=1S/C18H28N6O/c1-12(2)17-11-22(5)6-7-23(17)18(25)16-9-15(19-20-16)10-24-14(4)8-13(3)21-24/h8-9,12,17H,6-7,10-11H2,1-5H3,(H,19,20)/p+1/t17-/m1/s1