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

Systemtic Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]ethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]-2-phenyl-acetamide CAS Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]-2-phenylacetamide Traditional Name: N-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]acetyl]-2-phenyl-acetamide Formula: C23H27N2O4+ MolecularWeight: 395.47148

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)NC(=O)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)NC(=O)CC2=CC=CC=C2)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C23H26N2O4/c26-22(14-17-6-2-1-3-7-17)24-23(27)16-25-11-4-8-19(25)18-9-10-20-21(15-18)29-13-5-12-28-20/h1-3,6-7,9-10,15,19H,4-5,8,11-14,16H2,(H,24,26,27)/p+1/t19-/m0/s1