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

Systemtic Name: (2S)-2-[4-(4-ethanoylphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(4-acetylphenyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(4-acetylphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C28H27N3O3 MolecularWeight: 453.53228

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)[C@@H](C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C28H27N3O3/c1-19(32)20-11-13-22(14-12-20)30-15-17-31(18-16-30)27(28(33)34)25-23-9-5-6-10-24(23)29-26(25)21-7-3-2-4-8-21/h2-14,27,29H,15-18H2,1H3,(H,33,34)/t27-/m0/s1