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

Systemtic Name: 6-(methoxymethyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Openeye Name: 6-(methoxymethyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one CAS Name: 6-(methoxymethyl)-2-[4-(4-thiomorpholin-4-iumylmethyl)phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-(methoxymethyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Traditional Name: 6-(methoxymethyl)-2-[4-(thiomorpholin-4-ium-4-ylmethyl)phenyl]-1H-pyrimidin-4-one Formula: C17H22N3O2S+ MolecularWeight: 332.44048

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCSCC3

Isomeric SMILES

COCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCSCC3

InChI

InChI=1S/C17H21N3O2S/c1-22-12-15-10-16(21)19-17(18-15)14-4-2-13(3-5-14)11-20-6-8-23-9-7-20/h2-5,10H,6-9,11-12H2,1H3,(H,18,19,21)/p+1