1,3-benzodioxol-5-yl-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[(3S)-1-[3-(methylthio)propyl]-3-piperidin-1-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[(3S)-1-(3-methylsulfanylpropyl)piperidin-1-ium-3-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[(3S)-1-[3-(methylthio)propyl]piperidin-1-ium-3-yl]methanone Formula: C17H24NO3S+ MolecularWeight: 322.44236

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC[NH+]1CCCC(C1)C(=O)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CSCCC[NH+]1CCC[C@@H](C1)C(=O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H23NO3S/c1-22-9-3-8-18-7-2-4-14(11-18)17(19)13-5-6-15-16(10-13)21-12-20-15/h5-6,10,14H,2-4,7-9,11-12H2,1H3/p+1/t14-/m0/s1