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

Systemtic Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone CAS Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(2-methylphenyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(2-methylphenyl)piperazin-1-ium-1-yl]ethanone Traditional Name: 1-[(2S)-2-methylindolin-1-yl]-2-[4-(o-tolyl)piperazin-1-ium-1-yl]ethanone Formula: C22H28N3O+ MolecularWeight: 350.47722

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4C

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=CC=C4C

InChI

InChI=1S/C22H27N3O/c1-17-7-3-5-9-20(17)24-13-11-23(12-14-24)16-22(26)25-18(2)15-19-8-4-6-10-21(19)25/h3-10,18H,11-16H2,1-2H3/p+1/t18-/m0/s1