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

Systemtic Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Openeye Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone CAS Name: [(3S)-1-[[2-(methylthio)-5-pyrimidinyl]methyl]-3-piperidin-1-iumyl]-(4-phenoxyphenyl)methanone IUPAC Name: [(3S)-1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Traditional Name: [(3S)-1-[[2-(methylthio)pyrimidin-5-yl]methyl]piperidin-1-ium-3-yl]-(4-phenoxyphenyl)methanone Formula: C24H26N3O2S+ MolecularWeight: 420.54714

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C=N1)C[NH+]2CCCC(C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CSC1=NC=C(C=N1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H25N3O2S/c1-30-24-25-14-18(15-26-24)16-27-13-5-6-20(17-27)23(28)19-9-11-22(12-10-19)29-21-7-3-2-4-8-21/h2-4,7-12,14-15,20H,5-6,13,16-17H2,1H3/p+1/t20-/m0/s1