[(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-3-piperidin-1-iumyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-1-ium-3-yl]-[2-(methylthio)phenyl]methanone Formula: C22H26NO4S+ MolecularWeight: 400.51114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC2=C1OCO2)C[NH+]3CCCC(C3)C(=O)C4=CC=CC=C4SC

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)C[NH+]3CCC[C@@H](C3)C(=O)C4=CC=CC=C4SC

InChI

InChI=1S/C22H25NO4S/c1-25-18-10-15(11-19-22(18)27-14-26-19)12-23-9-5-6-16(13-23)21(24)17-7-3-4-8-20(17)28-2/h3-4,7-8,10-11,16H,5-6,9,12-14H2,1-2H3/p+1/t16-/m0/s1