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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CCC3=C(C4=CC=CC=C4N=C32)NC(=O)C[NH+]5CCCCC5

Isomeric SMILES

CC1=CC(=CC=C1)N2CCC3=C(C4=CC=CC=C4N=C32)NC(=O)C[NH+]5CCCCC5

InChI

InChI=1S/C25H28N4O/c1-18-8-7-9-19(16-18)29-15-12-21-24(20-10-3-4-11-22(20)26-25(21)29)27-23(30)17-28-13-5-2-6-14-28/h3-4,7-11,16H,2,5-6,12-15,17H2,1H3,(H,26,27,30)/p+1