6-tert-butyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-tert-butyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-tert-butyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-tert-butyl-2-[3-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-tert-butyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-tert-butyl-2-[3-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCSCC3

Isomeric SMILES

CC(C)(C)C1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C19H25N3OS/c1-19(2,3)16-12-17(23)21-18(20-16)15-6-4-5-14(11-15)13-22-7-9-24-10-8-22/h4-6,11-12H,7-10,13H2,1-3H3,(H,20,21,23)/p+1