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

Systemtic Name: (3S)-4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Openeye Name: (3S)-4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one CAS Name: (3S)-4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-ethyl-3-methyl-2-piperazin-4-iumone IUPAC Name: (3S)-4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-1-ethyl-3-methylpiperazin-4-ium-2-one Traditional Name: (3S)-4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-1-ethyl-3-methyl-piperazin-4-ium-2-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](C(C1=O)C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CCN1CC[NH+]([C@H](C1=O)C)CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O3/c1-3-26-11-12-27(17(2)24(26)29)14-19-15-28(20-7-5-4-6-8-20)25-23(19)18-9-10-21-22(13-18)31-16-30-21/h4-10,13,15,17H,3,11-12,14,16H2,1-2H3/p+1/t17-/m0/s1