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

Systemtic Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C27H27N3O3 MolecularWeight: 441.52158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2CC[NH+](CC2)C(C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)N2CC[NH+](CC2)[C@@H](C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)[O-]

InChI

InChI=1S/C27H27N3O3/c1-33-21-11-7-10-20(18-21)29-14-16-30(17-15-29)26(27(31)32)24-22-12-5-6-13-23(22)28-25(24)19-8-3-2-4-9-19/h2-13,18,26,28H,14-17H2,1H3,(H,31,32)/t26-/m0/s1