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

Systemtic Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholin-4-ium-4-yl-ethyl]-piperonylamide Formula: C22H27N2O6+ MolecularWeight: 415.45958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)OCO3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C22H26N2O6/c1-26-18-5-3-15(11-20(18)27-2)17(24-7-9-28-10-8-24)13-23-22(25)16-4-6-19-21(12-16)30-14-29-19/h3-6,11-12,17H,7-10,13-14H2,1-2H3,(H,23,25)/p+1/t17-/m0/s1