1,3-benzodioxol-5-yl-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(1,5-dimethyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(1,5-dimethylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C18H23N4O3+ MolecularWeight: 343.40022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(C=NN1C)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O3/c1-13-15(10-19-20(13)2)11-21-5-7-22(8-6-21)18(23)14-3-4-16-17(9-14)25-12-24-16/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1