1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxidanylidene-2-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]amino]ethyl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(1-pyrrolidin-1-iumylmethyl)anilino]ethyl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-methyl-[2-oxo-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]azanium Traditional Name: [2-keto-2-[4-(pyrrolidin-1-ium-1-ylmethyl)anilino]ethyl]-methyl-piperonyl-ammonium Formula: C22H29N3O3+2 MolecularWeight: 383.48396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

C[NH+](CC1=CC2=C(C=C1)OCO2)CC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H27N3O3/c1-24(13-18-6-9-20-21(12-18)28-16-27-20)15-22(26)23-19-7-4-17(5-8-19)14-25-10-2-3-11-25/h4-9,12H,2-3,10-11,13-16H2,1H3,(H,23,26)/p+2