2-methyl-6-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 2-methyl-6-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 2-methyl-6-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 2-methyl-6-[1-[(3S)-3-thiolanyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-methyl-6-[1-[(3S)-thiolan-3-yl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 2-methyl-6-[1-[(3S)-tetrahydrothiophen-3-yl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)C3CCSC3

Isomeric SMILES

CC1=NC(=O)C=C(N1)C2CC[NH+](CC2)[C@H]3CCSC3

InChI

InChI=1S/C14H21N3OS/c1-10-15-13(8-14(18)16-10)11-2-5-17(6-3-11)12-4-7-19-9-12/h8,11-12H,2-7,9H2,1H3,(H,15,16,18)/p+1/t12-/m0/s1