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

Systemtic Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-phenethyl-ethanediamide Openeye Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-phenethyl-oxamide CAS Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-(4-morpholin-4-iumyl)ethyl]-N-phenethyloxamide IUPAC Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-ylethyl]-N-phenethyloxamide Traditional Name: N'-[(2S)-2-(1,3-benzodioxol-5-yl)-2-morpholin-4-ium-4-yl-ethyl]-N-phenethyl-oxamide Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1C(CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1COCC[NH+]1[C@H](CNC(=O)C(=O)NCCC2=CC=CC=C2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H27N3O5/c27-22(24-9-8-17-4-2-1-3-5-17)23(28)25-15-19(26-10-12-29-13-11-26)18-6-7-20-21(14-18)31-16-30-20/h1-7,14,19H,8-13,15-16H2,(H,24,27)(H,25,28)/p+1/t19-/m1/s1