N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-bromophenyl)-2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C21H24BrN2O3+ MolecularWeight: 432.33086

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC2=CC=CC=C2Br)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H23BrN2O3/c22-16-5-1-2-6-17(16)23-21(25)14-24-10-3-7-18(24)15-8-9-19-20(13-15)27-12-4-11-26-19/h1-2,5-6,8-9,13,18H,3-4,7,10-12,14H2,(H,23,25)/p+1/t18-/m0/s1