2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazin-4-ium-1-yl]ethanone Formula: C20H28N3O4+ MolecularWeight: 374.45402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H27N3O4/c24-19(14-16-3-4-17-18(13-16)27-12-11-26-17)23-9-7-21(8-10-23)15-20(25)22-5-1-2-6-22/h3-4,13H,1-2,5-12,14-15H2/p+1