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

Systemtic Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-methyl-ethanediamide Openeye Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-methyl-oxamide CAS Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-N-methyloxamide IUPAC Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-N-methyloxamide Traditional Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-methyl-oxamide Formula: C16H22N3O5+ MolecularWeight: 336.36298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5/c1-17-15(20)16(21)18-9-12(19-4-6-22-7-5-19)11-2-3-13-14(8-11)24-10-23-13/h2-3,8,12H,4-7,9-10H2,1H3,(H,17,20)(H,18,21)/p+1/t12-/m1/s1