N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-[3-(4-morpholin-4-iumylmethyl)phenoxy]propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-[3-(morpholin-4-ium-4-ylmethyl)phenoxy]propyl]-piperonylamide Formula: C22H27N2O5+ MolecularWeight: 399.46018

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C1=CC2=C(C=C1)OCO2)OC3=CC=CC(=C3)C[NH+]4CCOCC4

Isomeric SMILES

C[C@H](CNC(=O)C1=CC2=C(C=C1)OCO2)OC3=CC=CC(=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N2O5/c1-16(13-23-22(25)18-5-6-20-21(12-18)28-15-27-20)29-19-4-2-3-17(11-19)14-24-7-9-26-10-8-24/h2-6,11-12,16H,7-10,13-15H2,1H3,(H,23,25)/p+1/t16-/m1/s1