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

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C23H28N3O2+ MolecularWeight: 378.48732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2/c1-17-15-20-5-3-4-6-22(20)26(17)23(28)16-24-11-13-25(14-12-24)21-9-7-19(8-10-21)18(2)27/h3-10,17H,11-16H2,1-2H3/p+1/t17-/m0/s1