2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone

Systemtic Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Openeye Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone CAS Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidin-1-iumyl]-1-(1H-indol-3-yl)ethanone IUPAC Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Traditional Name: 2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-ium-1-yl]-1-(1H-indol-3-yl)ethanone Formula: C23H25N2O3+ MolecularWeight: 377.4562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC([NH+](C1)CC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1C[C@H]([NH+](C1)CC(=O)C2=CNC3=CC=CC=C32)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C23H24N2O3/c26-21(18-14-24-19-6-2-1-5-17(18)19)15-25-10-3-7-20(25)16-8-9-22-23(13-16)28-12-4-11-27-22/h1-2,5-6,8-9,13-14,20,24H,3-4,7,10-12,15H2/p+1/t20-/m0/s1