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

Systemtic Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-phenethyl-ethanamide Openeye Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenethyl-acetamide CAS Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-phenethylacetamide IUPAC Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-phenethylacetamide Traditional Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-phenethyl-acetamide Formula: C23H28N3O4+ MolecularWeight: 410.48612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NCCC2=CC=CC=C2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C23H27N3O4/c27-22(24-11-10-18-6-2-1-3-7-18)16-25-12-14-26(15-13-25)23(28)21-17-29-19-8-4-5-9-20(19)30-21/h1-9,21H,10-17H2,(H,24,27)/p+1/t21-/m1/s1