(2S)-1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one

Systemtic Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Openeye Name: (2S)-1-indolin-1-yl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one CAS Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: (2S)-1-(2,3-dihydroindol-1-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)propan-1-one Traditional Name: (2S)-1-indolin-1-yl-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]propan-1-one Formula: C20H25N4O+ MolecularWeight: 337.4387

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@@H](C(=O)N1CCC2=CC=CC=C21)[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

InChI=1S/C20H24N4O/c1-16(20(25)24-11-9-17-6-2-3-7-18(17)24)22-12-14-23(15-13-22)19-8-4-5-10-21-19/h2-8,10,16H,9,11-15H2,1H3/p+1/t16-/m0/s1