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

Systemtic Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [1-[4-(2-benzofuranyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [1-[4-(1-benzofuran-2-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [1-[4-(benzofuran-2-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C27H31N6O2+ MolecularWeight: 471.57404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CCC(CC5)[NH+]6CCCCC6

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=CC4=CC=CC=C4O3)C(=O)N5CCC(CC5)[NH+]6CCCCC6

InChI

InChI=1S/C27H30N6O2/c1-19-22(26(34)32-15-10-21(11-16-32)31-13-5-2-6-14-31)18-29-33(19)27-28-12-9-23(30-27)25-17-20-7-3-4-8-24(20)35-25/h3-4,7-9,12,17-18,21H,2,5-6,10-11,13-16H2,1H3/p+1