(2S,3S)-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2S,3S)-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2S,3S)-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2S,3S)-2-[3-[2-(1-pyrrolidin-1-iumyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2S,3S)-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2S,3S)-2-[3-(2-pyrrolidin-1-ium-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C21H23NO5 MolecularWeight: 369.41102

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC(=C2)C3C(OC4=CC=CC=C4O3)C(=O)[O-]

Isomeric SMILES

C1CC[NH+](C1)CCOC2=CC=CC(=C2)[C@H]3[C@H](OC4=CC=CC=C4O3)C(=O)[O-]

InChI

InChI=1S/C21H23NO5/c23-21(24)20-19(26-17-8-1-2-9-18(17)27-20)15-6-5-7-16(14-15)25-13-12-22-10-3-4-11-22/h1-2,5-9,14,19-20H,3-4,10-13H2,(H,23,24)/t19-,20-/m0/s1