(2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone

Systemtic Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Openeye Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone CAS Name: (2,4-dimethoxyphenyl)-[(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (2,4-dimethoxyphenyl)-[(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]methanone Traditional Name: (2,4-dimethoxyphenyl)-[(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]methanone Formula: C20H26N3O3S+ MolecularWeight: 388.50374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-25-16-6-7-17(18(9-16)26-2)19(24)15-5-4-8-23(13-15)12-14-10-21-20(27-3)22-11-14/h6-7,9-11,15H,4-5,8,12-13H2,1-3H3/p+1/t15-/m0/s1