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

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O2/c1-17-15-19-9-5-6-10-20(19)25(17)21(26)16-23-11-13-24(14-12-23)22(27)18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3/p+1/t17-/m0/s1