2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C21H23N3O4/c25-20(22-16-6-2-1-3-7-16)14-23-10-12-24(13-11-23)21(26)19-15-27-17-8-4-5-9-18(17)28-19/h1-9,19H,10-15H2,(H,22,25)/p+1/t19-/m1/s1