N-[[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[4-(2-pyrrolidin-1-ium-1-ylethoxy)benzyl]-piperonylamide Formula: C21H25N2O4+ MolecularWeight: 369.4342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=C(C=C2)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H24N2O4/c24-21(17-5-8-19-20(13-17)27-15-26-19)22-14-16-3-6-18(7-4-16)25-12-11-23-9-1-2-10-23/h3-8,13H,1-2,9-12,14-15H2,(H,22,24)/p+1