[(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(3-furylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(3-furanylmethyl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(furan-3-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(3-furfuryl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C18H22NO2S+ MolecularWeight: 316.43778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=COC=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=COC=C3

InChI

InChI=1S/C18H21NO2S/c1-22-17-6-4-15(5-7-17)18(20)16-3-2-9-19(12-16)11-14-8-10-21-13-14/h4-8,10,13,16H,2-3,9,11-12H2,1H3/p+1/t16-/m0/s1