[(3S)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(2-methoxy-6-oxidanyl-phenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxy-6-methoxy-phenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2-hydroxy-6-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(2-hydroxy-6-methoxy-benzyl)piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C21H26NO3S+ MolecularWeight: 372.50104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

Isomeric SMILES

COC1=CC=CC(=C1C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC)O

InChI

InChI=1S/C21H25NO3S/c1-25-19-10-5-9-18(23)17(19)14-22-12-6-7-15(13-22)21(24)16-8-3-4-11-20(16)26-2/h3-5,8-11,15,23H,6-7,12-14H2,1-2H3/p+1/t15-/m0/s1