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

Systemtic Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propanamide Openeye Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propanamide CAS Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-pyrrolidin-1-iumyl]-N-phenylpropanamide IUPAC Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-phenylpropanamide Traditional Name: 3-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]-N-phenyl-propionamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CCC(=O)NC2=CC=CC=C2)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H24N2O3/c24-21(22-17-5-2-1-3-6-17)10-12-23-11-4-7-18(23)16-8-9-19-20(15-16)26-14-13-25-19/h1-3,5-6,8-9,15,18H,4,7,10-14H2,(H,22,24)/p+1/t18-/m0/s1