[(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3R)-1-[(2-methoxyphenyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3R)-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [2-(methylthio)phenyl]-[(3R)-1-o-anisylpiperidin-1-ium-3-yl]methanone Formula: C21H26NO2S+ MolecularWeight: 356.50164

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-24-19-11-5-3-8-16(19)14-22-13-7-9-17(15-22)21(23)18-10-4-6-12-20(18)25-2/h3-6,8,10-12,17H,7,9,13-15H2,1-2H3/p+1/t17-/m1/s1