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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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