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

Systemtic Name: 6-(2-methylpropyl)-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-isobutyl-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(2-methylpropyl)-2-[2-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(2-methylpropyl)-2-[2-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-isobutyl-2-[2-(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)CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCSCC3

Isomeric SMILES

CC(C)CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCSCC3

InChI

InChI=1S/C19H25N3OS/c1-14(2)11-16-12-18(23)21-19(20-16)17-6-4-3-5-15(17)13-22-7-9-24-10-8-22/h3-6,12,14H,7-11,13H2,1-2H3,(H,20,21,23)/p+1