N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-3-ethyl-2-(4-morpholin-4-iumyl)pentyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-ylpentyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-3-ethyl-2-morpholin-4-ium-4-yl-pentyl]-piperonylamide Formula: C19H29N2O4+ MolecularWeight: 349.44456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O4/c1-3-14(4-2)16(21-7-9-23-10-8-21)12-20-19(22)15-5-6-17-18(11-15)25-13-24-17/h5-6,11,14,16H,3-4,7-10,12-13H2,1-2H3,(H,20,22)/p+1/t16-/m0/s1