(4-methylsulfanylphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-methylsulfanylphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone CAS Name: [4-(methylthio)phenyl]-[(3S)-1-(3-phenylprop-2-ynyl)-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Traditional Name: [4-(methylthio)phenyl]-[(3S)-1-(3-phenylprop-2-ynyl)piperidin-1-ium-3-yl]methanone Formula: C22H24NOS+ MolecularWeight: 350.49706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NOS/c1-25-21-13-11-19(12-14-21)22(24)20-10-6-16-23(17-20)15-5-9-18-7-3-2-4-8-18/h2-4,7-8,11-14,20H,6,10,15-17H2,1H3/p+1/t20-/m0/s1