[5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-methyl-1-(5H-thiochromeno[4,3-d]pyrimidin-2-yl)pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C26H31N6OS+ MolecularWeight: 475.62894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CSC4=CC=CC=C4C3=N2)C(=O)N5CCC(CC5)[NH+]6CCCCC6

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CSC4=CC=CC=C4C3=N2)C(=O)N5CCC(CC5)[NH+]6CCCCC6

InChI

InChI=1S/C26H30N6OS/c1-18-22(25(33)31-13-9-20(10-14-31)30-11-5-2-6-12-30)16-28-32(18)26-27-15-19-17-34-23-8-4-3-7-21(23)24(19)29-26/h3-4,7-8,15-16,20H,2,5-6,9-14,17H2,1H3/p+1