2-(azepan-1-ium-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ethanamide

Systemtic Name: 2-(azepan-1-ium-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)ethanamide Openeye Name: 2-(azepan-1-ium-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide CAS Name: 2-(1-azepan-1-iumyl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide IUPAC Name: 2-(azepan-1-ium-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide Traditional Name: 2-(azepan-1-ium-1-yl)-N-(1-phenyl-2,3-dihydropyrrolo[2,3-b]quinolin-4-yl)acetamide Formula: C25H29N4O+ MolecularWeight: 401.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)NC2=C3CCN(C3=NC4=CC=CC=C42)C5=CC=CC=C5

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)NC2=C3CCN(C3=NC4=CC=CC=C42)C5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c30-23(18-28-15-8-1-2-9-16-28)27-24-20-12-6-7-13-22(20)26-25-21(24)14-17-29(25)19-10-4-3-5-11-19/h3-7,10-13H,1-2,8-9,14-18H2,(H,26,27,30)/p+1