[1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C23H25N6O3+ MolecularWeight: 433.483

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=CC5=C(C=C4)OCO5)C6CC6

InChI

InChI=1S/C23H24N6O3/c1-27-8-10-28(11-9-27)22(30)17-13-25-29(21(17)15-2-3-15)23-24-7-6-18(26-23)16-4-5-19-20(12-16)32-14-31-19/h4-7,12-13,15H,2-3,8-11,14H2,1H3/p+1