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

Systemtic Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)-3-piperidin-1-iumyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(1,3-benzodioxol-4-ylmethyl)piperidin-1-ium-3-yl]-[4-(methylthio)phenyl]methanone Formula: C21H24NO3S+ MolecularWeight: 370.48516

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)C2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)[C@H]2CCC[NH+](C2)CC3=C4C(=CC=C3)OCO4

InChI

InChI=1S/C21H23NO3S/c1-26-18-9-7-15(8-10-18)20(23)16-5-3-11-22(12-16)13-17-4-2-6-19-21(17)25-14-24-19/h2,4,6-10,16H,3,5,11-14H2,1H3/p+1/t16-/m0/s1