(5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (5-chloro-2-methoxyphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (5-chloro-2-methoxy-phenyl)-[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanone Formula: C17H25ClNO2S+ MolecularWeight: 342.9039

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C(=O)C2CCC[NH+](C2)CCCSC

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C(=O)[C@H]2CCC[NH+](C2)CCCSC

InChI

InChI=1S/C17H24ClNO2S/c1-21-16-7-6-14(18)11-15(16)17(20)13-5-3-8-19(12-13)9-4-10-22-2/h6-7,11,13H,3-5,8-10,12H2,1-2H3/p+1/t13-/m0/s1