(4-methylsulfanylphenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: (4-methylsulfanylphenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(3-isoxazolylmethyl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: (4-methylsulfanylphenyl)-[(3S)-1-(1,2-oxazol-3-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: [(3S)-1-(isoxazol-3-ylmethyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N2O2S/c1-22-16-6-4-13(5-7-16)17(20)14-3-2-9-19(11-14)12-15-8-10-21-18-15/h4-8,10,14H,2-3,9,11-12H2,1H3/p+1/t14-/m0/s1