6-(1-methylpiperidin-1-ium-4-yl)-2-(phenylsulfanylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-(1-methylpiperidin-1-ium-4-yl)-2-(phenylsulfanylmethyl)-1H-pyrimidin-4-one Openeye Name: 6-(1-methylpiperidin-1-ium-4-yl)-2-(phenylsulfanylmethyl)-1H-pyrimidin-4-one CAS Name: 6-(1-methyl-4-piperidin-1-iumyl)-2-[(phenylthio)methyl]-1H-pyrimidin-4-one IUPAC Name: 6-(1-methylpiperidin-1-ium-4-yl)-2-(phenylsulfanylmethyl)-1H-pyrimidin-4-one Traditional Name: 6-(1-methylpiperidin-1-ium-4-yl)-2-[(phenylthio)methyl]-1H-pyrimidin-4-one Formula: C17H22N3OS+ MolecularWeight: 316.44108

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)CSC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCC(CC1)C2=CC(=O)N=C(N2)CSC3=CC=CC=C3

InChI

InChI=1S/C17H21N3OS/c1-20-9-7-13(8-10-20)15-11-17(21)19-16(18-15)12-22-14-5-3-2-4-6-14/h2-6,11,13H,7-10,12H2,1H3,(H,18,19,21)/p+1