(2S)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2S)-1-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Openeye Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide CAS Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenyl-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenylpyrrolidin-1-ium-2-carboxamide Traditional Name: (2S)-1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-N-phenyl-pyrrolidin-1-ium-2-carboxamide Formula: C20H22BrN2O3+ MolecularWeight: 418.30428

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC2=CC3=C(C=C2Br)OCCO3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC2=CC3=C(C=C2Br)OCCO3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C20H21BrN2O3/c21-16-12-19-18(25-9-10-26-19)11-14(16)13-23-8-4-7-17(23)20(24)22-15-5-2-1-3-6-15/h1-3,5-6,11-12,17H,4,7-10,13H2,(H,22,24)/p+1/t17-/m0/s1