(2-methylsulfanylphenyl)-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (2-methylsulfanylphenyl)-[(3S)-1-(phenylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [2-(methylthio)phenyl]-[(3S)-1-(phenylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-benzylpiperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C20H24NOS+ MolecularWeight: 326.47566

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)C2CCC[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)[C@H]2CCC[NH+](C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H23NOS/c1-23-19-12-6-5-11-18(19)20(22)17-10-7-13-21(15-17)14-16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3/p+1/t17-/m0/s1