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

Systemtic Name: 1,3-benzodioxol-5-yl-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-[(1-ethyl-5-methyl-4-pyrazolyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-[(1-ethyl-5-methylpyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-[(1-ethyl-5-methyl-pyrazol-4-yl)methyl]piperazin-4-ium-1-yl]methanone Formula: C19H25N4O3+ MolecularWeight: 357.4268

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCN1C(=C(C=N1)C[NH+]2CCN(CC2)C(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H24N4O3/c1-3-23-14(2)16(11-20-23)12-21-6-8-22(9-7-21)19(24)15-4-5-17-18(10-15)26-13-25-17/h4-5,10-11H,3,6-9,12-13H2,1-2H3/p+1