(3-methoxyphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (3-methoxyphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: (3-methoxyphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: (3-methoxyphenyl)-[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: (3-methoxyphenyl)-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: (3-methoxyphenyl)-[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanone Formula: C17H26NO2S+ MolecularWeight: 308.45884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25NO2S/c1-20-16-8-3-6-14(12-16)17(19)15-7-4-9-18(13-15)10-5-11-21-2/h3,6,8,12,15H,4-5,7,9-11,13H2,1-2H3/p+1/t15-/m0/s1