[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-phenyl-1H-pyrazol-4-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-phenyl-1H-pyrazol-4-yl)methanone Traditional Name: (5-phenyl-1H-pyrazol-4-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H23N4O3+ MolecularWeight: 391.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(NN=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=C(NN=C4)C5=CC=CC=C5

InChI

InChI=1S/C22H22N4O3/c27-22(18-13-23-24-21(18)17-4-2-1-3-5-17)26-10-8-25(9-11-26)14-16-6-7-19-20(12-16)29-15-28-19/h1-7,12-13H,8-11,14-15H2,(H,23,24)/p+1