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

Systemtic Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-(4-morpholin-4-iumyl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-(4-dimethylaminophenyl)-2-morpholin-4-ium-4-yl-ethyl]-piperonylamide Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4/c1-24(2)18-6-3-16(4-7-18)19(25-9-11-27-12-10-25)14-23-22(26)17-5-8-20-21(13-17)29-15-28-20/h3-8,13,19H,9-12,14-15H2,1-2H3,(H,23,26)/p+1/t19-/m0/s1