1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenyl-4-pyrazolyl)methyl]piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(1-phenylpyrazol-4-yl)methyl]piperazin-4-ium Traditional Name: 1-[(1-phenylpyrazol-4-yl)methyl]-4-piperonyl-piperazin-1-ium Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN(N=C2)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2/c1-2-4-20(5-3-1)26-16-19(13-23-26)15-25-10-8-24(9-11-25)14-18-6-7-21-22(12-18)28-17-27-21/h1-7,12-13,16H,8-11,14-15,17H2/p+1