N-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-oxo-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-keto-2-[[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]-piperonylamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CC[NH+](C1)CC2=CC=CC=C2CNC(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O4/c26-21(13-24-22(27)16-7-8-19-20(11-16)29-15-28-19)23-12-17-5-1-2-6-18(17)14-25-9-3-4-10-25/h1-2,5-8,11H,3-4,9-10,12-15H2,(H,23,26)(H,24,27)/p+1