6-[1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-[1-[[5-(3-methyl-3-oxidanyl-but-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Openeye Name: 6-[1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one CAS Name: 6-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)-2-thiophenyl]methyl]-4-piperidin-1-iumyl]-1H-pyrimidin-4-one IUPAC Name: 6-[1-[[5-(3-hydroxy-3-methylbut-1-ynyl)thiophen-2-yl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Traditional Name: 6-[1-[[5-(3-hydroxy-3-methyl-but-1-ynyl)-2-thienyl]methyl]piperidin-1-ium-4-yl]-1H-pyrimidin-4-one Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC(CC2)C3=CC(=O)N=CN3)O

Isomeric SMILES

CC(C)(C#CC1=CC=C(S1)C[NH+]2CCC(CC2)C3=CC(=O)N=CN3)O

InChI

InChI=1S/C19H23N3O2S/c1-19(2,24)8-5-15-3-4-16(25-15)12-22-9-6-14(7-10-22)17-11-18(23)21-13-20-17/h3-4,11,13-14,24H,6-7,9-10,12H2,1-2H3,(H,20,21,23)/p+1