2-(1,3-benzodioxol-5-yl)ethyl-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methyl]azanium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[2-(2-oxidanylidene-2-pyrrolidin-1-yl-ethoxy)phenyl]methyl]azanium Openeye Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[2-(2-oxo-2-pyrrolidin-1-yl-ethoxy)phenyl]methyl]ammonium CAS Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[2-[2-oxo-2-(1-pyrrolidinyl)ethoxy]phenyl]methyl]ammonium IUPAC Name: 2-(1,3-benzodioxol-5-yl)ethyl-[[2-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methyl]azanium Traditional Name: homopiperonyl-[2-(2-keto-2-pyrrolidino-ethoxy)benzyl]ammonium Formula: C22H27N2O4+ MolecularWeight: 383.46078

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)COC2=CC=CC=C2C[NH2+]CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCN(C1)C(=O)COC2=CC=CC=C2C[NH2+]CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H26N2O4/c25-22(24-11-3-4-12-24)15-26-19-6-2-1-5-18(19)14-23-10-9-17-7-8-20-21(13-17)28-16-27-20/h1-2,5-8,13,23H,3-4,9-12,14-16H2/p+1