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

Systemtic Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Openeye Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one CAS Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-3,3-dimethyl-2-piperazin-4-iumone IUPAC Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]-3,3-dimethylpiperazin-4-ium-2-one Traditional Name: 4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]-3,3-dimethyl-piperazin-4-ium-2-one Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

Isomeric SMILES

CC1(C(=O)NCC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)C

InChI

InChI=1S/C23H24N4O3/c1-23(2)22(28)24-10-11-26(23)13-17-14-27(18-6-4-3-5-7-18)25-21(17)16-8-9-19-20(12-16)30-15-29-19/h3-9,12,14H,10-11,13,15H2,1-2H3,(H,24,28)/p+1