N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]methanesulfonamide

Systemtic Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]methanesulfonamide Openeye Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]methanesulfonamide CAS Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]methanesulfonamide IUPAC Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]methanesulfonamide Traditional Name: N-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]methanesulfonamide Formula: C14H21N2O5S+ MolecularWeight: 329.39194

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NCC(C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

Isomeric SMILES

CS(=O)(=O)NC[C@H](C1=CC2=C(C=C1)OCO2)[NH+]3CCOCC3

InChI

InChI=1S/C14H20N2O5S/c1-22(17,18)15-9-12(16-4-6-19-7-5-16)11-2-3-13-14(8-11)21-10-20-13/h2-3,8,12,15H,4-7,9-10H2,1H3/p+1/t12-/m1/s1