[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-yl-methanone

Systemtic Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-yl-methanone Openeye Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-yl-methanone CAS Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-(1-piperazin-4-iumyl)methanone IUPAC Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-ylmethanone Traditional Name: [(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-piperazin-4-ium-1-yl-methanone Formula: C13H17N2O3+ MolecularWeight: 249.28568

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C13H16N2O3/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12/h1-4,12,14H,5-9H2/p+1/t12-/m1/s1