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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCOC2=CC=CC=C2C3C(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(26-17-9-3-4-10-18(17)27-20)15-7-1-2-8-16(15)25-14-13-22-11-5-6-12-22/h1-4,7-10,19-20H,5-6,11-14H2,(H,23,24)/t19-,20-/m0/s1