(4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (4-methoxy-3,5-dimethylphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (4-methoxy-3,5-dimethyl-phenyl)-[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanone Formula: C19H30NO2S+ MolecularWeight: 336.512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C(=O)C2CCC[NH+](C2)CCCSC

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C(=O)[C@H]2CCC[NH+](C2)CCCSC

InChI

InChI=1S/C19H29NO2S/c1-14-11-17(12-15(2)19(14)22-3)18(21)16-7-5-8-20(13-16)9-6-10-23-4/h11-12,16H,5-10,13H2,1-4H3/p+1/t16-/m0/s1