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

Systemtic Name: [(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(3-methylbut-2-enyl)-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(3-methylbut-2-enyl)piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C18H26NOS+ MolecularWeight: 304.47014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC[NH+]1CCCC(C1)C(=O)C2=CC=CC=C2SC)C

Isomeric SMILES

CC(=CC[NH+]1CCC[C@@H](C1)C(=O)C2=CC=CC=C2SC)C

InChI

InChI=1S/C18H25NOS/c1-14(2)10-12-19-11-6-7-15(13-19)18(20)16-8-4-5-9-17(16)21-3/h4-5,8-10,15H,6-7,11-13H2,1-3H3/p+1/t15-/m0/s1