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

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-methyl-1H-indol-3-yl)acetate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N3O3/c1-15-21(19-5-3-4-6-20(19)24-15)22(23(28)29)26-13-11-25(12-14-26)18-9-7-17(8-10-18)16(2)27/h3-10,22,24H,11-14H2,1-2H3,(H,28,29)/t22-/m0/s1