4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium

Systemtic Name: 4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Openeye Name: 4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium CAS Name: 4-[1-[[1-methyl-3-(4-phenoxyphenyl)-4-pyrazolyl]methyl]-4-piperidin-1-iumyl]thiomorpholin-4-ium IUPAC Name: 4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Traditional Name: 4-[1-[[1-methyl-3-(4-phenoxyphenyl)pyrazol-4-yl]methyl]piperidin-1-ium-4-yl]thiomorpholin-4-ium Formula: C26H34N4OS+2 MolecularWeight: 450.63936

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC(CC4)[NH+]5CCSCC5

Isomeric SMILES

CN1C=C(C(=N1)C2=CC=C(C=C2)OC3=CC=CC=C3)C[NH+]4CCC(CC4)[NH+]5CCSCC5

InChI

InChI=1S/C26H32N4OS/c1-28-19-22(20-29-13-11-23(12-14-29)30-15-17-32-18-16-30)26(27-28)21-7-9-25(10-8-21)31-24-5-3-2-4-6-24/h2-10,19,23H,11-18,20H2,1H3/p+2