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

Systemtic Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(1,3-benzodioxol-5-yl)-2-pyrimidinyl]-5-cyclopropyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C24H27N6O3+ MolecularWeight: 447.50958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O3/c1-2-28-9-11-29(12-10-28)23(31)18-14-26-30(22(18)16-3-4-16)24-25-8-7-19(27-24)17-5-6-20-21(13-17)33-15-32-20/h5-8,13-14,16H,2-4,9-12,15H2,1H3/p+1