[(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(5-ethyl-2-furanyl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(5-ethylfuran-2-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(5-ethyl-2-furyl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C20H26NO2S+ MolecularWeight: 344.49094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(O1)C[NH+]2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

CCC1=CC=C(O1)C[NH+]2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC

InChI

InChI=1S/C20H25NO2S/c1-3-16-10-11-17(23-16)14-21-12-6-7-15(13-21)20(22)18-8-4-5-9-19(18)24-2/h4-5,8-11,15H,3,6-7,12-14H2,1-2H3/p+1/t15-/m0/s1