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

Systemtic Name: 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Openeye Name: 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide CAS Name: 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-4-pyrazolyl]methyl]-1-piperazin-4-iumyl]propanamide IUPAC Name: 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenylpyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propanamide Traditional Name: 3-[4-[[3-(1,3-benzodioxol-5-yl)-1-phenyl-pyrazol-4-yl]methyl]piperazin-4-ium-1-yl]propionamide Formula: C24H28N5O3+ MolecularWeight: 434.51082

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)CCC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2C3=CC4=C(C=C3)OCO4)C5=CC=CC=C5)CCC(=O)N

InChI

InChI=1S/C24H27N5O3/c25-23(30)8-9-27-10-12-28(13-11-27)15-19-16-29(20-4-2-1-3-5-20)26-24(19)18-6-7-21-22(14-18)32-17-31-21/h1-7,14,16H,8-13,15,17H2,(H2,25,30)/p+1