N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]-2-piperidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]-2-piperidin-1-ium-1-yl-ethanamide Openeye Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-piperidin-1-ium-1-yl-acetamide CAS Name: N-[1-(phenylmethyl)-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl]-2-(1-piperidin-1-iumyl)acetamide IUPAC Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-piperidin-1-ium-1-ylacetamide Traditional Name: N-(1-benzyl-2,3-dihydropyrrolo[2,3-b]quinolin-9-ium-4-yl)-2-piperidin-1-ium-1-yl-acetamide Formula: C25H30N4O+2 MolecularWeight: 402.5319

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)NC2=C3CCN(C3=[NH+]C4=CC=CC=C42)CC5=CC=CC=C5

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)NC2=C3CCN(C3=[NH+]C4=CC=CC=C42)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N4O/c30-23(18-28-14-7-2-8-15-28)27-24-20-11-5-6-12-22(20)26-25-21(24)13-16-29(25)17-19-9-3-1-4-10-19/h1,3-6,9-12H,2,7-8,13-18H2,(H,26,27,30)/p+2