1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanone

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=N4

InChI

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