(2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(5-methyl-1H-indol-3-yl)acetate Formula: C23H25N3O3 MolecularWeight: 391.4629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)C4=CC=C(C=C4)C(=O)C

InChI

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