(2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-1-(2-methyl-1H-indol-3-yl)-1-propanone IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-1-(2-methyl-1H-indol-3-yl)propan-1-one Formula: C24H28N3O2+ MolecularWeight: 390.49802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)[C@H](C)[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C24H27N3O2/c1-16-23(21-6-4-5-7-22(21)25-16)24(29)17(2)26-12-14-27(15-13-26)20-10-8-19(9-11-20)18(3)28/h4-11,17,25H,12-15H2,1-3H3/p+1/t17-/m0/s1