(3-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C19H24N3O2S+ MolecularWeight: 358.47776

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)C2CCC[NH+](C2)CC3=CN=C(N=C3)SC

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CN=C(N=C3)SC

InChI

InChI=1S/C19H23N3O2S/c1-24-17-7-3-5-15(9-17)18(23)16-6-4-8-22(13-16)12-14-10-20-19(25-2)21-11-14/h3,5,7,9-11,16H,4,6,8,12-13H2,1-2H3/p+1/t16-/m0/s1