(2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium

Systemtic Name: (2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Openeye Name: (2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium CAS Name: (2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium IUPAC Name: (2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenylpiperazin-4-ium Traditional Name: (2S)-4-[[5-(1,3-benzodioxol-5-yl)-1H-pyrazol-4-yl]methyl]-1-methyl-2-phenyl-piperazin-4-ium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1C2=CC=CC=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN1CC[NH+](C[C@@H]1C2=CC=CC=C2)CC3=C(NN=C3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2/c1-25-9-10-26(14-19(25)16-5-3-2-4-6-16)13-18-12-23-24-22(18)17-7-8-20-21(11-17)28-15-27-20/h2-8,11-12,19H,9-10,13-15H2,1H3,(H,23,24)/p+1/t19-/m1/s1