[1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H23N6O2+ MolecularWeight: 403.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CC[NH+](CC5)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CC[NH+](CC5)C

InChI

InChI=1S/C22H22N6O2/c1-15-17(21(29)27-11-9-26(2)10-12-27)14-24-28(15)22-23-8-7-18(25-22)20-13-16-5-3-4-6-19(16)30-20/h3-8,13-14H,9-12H2,1-2H3/p+1