6-(2-chlorophenyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-(2-chlorophenyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(2-chlorophenyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-chlorophenyl)-2-[4-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-chlorophenyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(2-chlorophenyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C21H21ClN3OS+ MolecularWeight: 398.92894

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl

Isomeric SMILES

C1CSCC[NH+]1CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H20ClN3OS/c22-18-4-2-1-3-17(18)19-13-20(26)24-21(23-19)16-7-5-15(6-8-16)14-25-9-11-27-12-10-25/h1-8,13H,9-12,14H2,(H,23,24,26)/p+1