[(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(2,1,3-benzoxadiazol-5-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(benzofurazan-5-ylmethyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=CC4=NON=C4C=C3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=CC4=NON=C4C=C3

InChI

InChI=1S/C20H21N3O2S/c1-26-17-7-5-15(6-8-17)20(24)16-3-2-10-23(13-16)12-14-4-9-18-19(11-14)22-25-21-18/h4-9,11,16H,2-3,10,12-13H2,1H3/p+1/t16-/m0/s1