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

Systemtic Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-ethanamide Openeye Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide CAS Name: 2-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]-1-piperazin-1-iumyl]-N-methyl-N-phenylacetamide IUPAC Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]piperazin-1-ium-1-yl]-N-methyl-N-phenylacetamide Traditional Name: 2-[4-[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]piperazin-1-ium-1-yl]-N-methyl-N-phenyl-acetamide Formula: C22H26N3O4+ MolecularWeight: 396.45954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)C3COC4=CC=CC=C4O3

Isomeric SMILES

CN(C1=CC=CC=C1)C(=O)C[NH+]2CCN(CC2)C(=O)[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C22H25N3O4/c1-23(17-7-3-2-4-8-17)21(26)15-24-11-13-25(14-12-24)22(27)20-16-28-18-9-5-6-10-19(18)29-20/h2-10,20H,11-16H2,1H3/p+1/t20-/m1/s1