2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenoxyphenyl)ethanamide

Systemtic Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenoxyphenyl)ethanamide Openeye Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide CAS Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-(2-phenoxyphenyl)acetamide IUPAC Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide Traditional Name: 2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-(2-phenoxyphenyl)acetamide Formula: C26H27N2O4+ MolecularWeight: 431.50358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=CC=C2OC3=CC=CC=C3)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H26N2O4/c29-26(27-21-9-4-5-11-23(21)32-20-7-2-1-3-8-20)18-28-14-6-10-22(28)19-12-13-24-25(17-19)31-16-15-30-24/h1-5,7-9,11-13,17,22H,6,10,14-16,18H2,(H,27,29)/p+1/t22-/m0/s1