(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbethoxypiperazin-1-ium-1-yl)-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-]

InChI

InChI=1S/C23H25N3O4/c1-2-30-23(29)26-14-12-25(13-15-26)21(22(27)28)19-17-10-6-7-11-18(17)24-20(19)16-8-4-3-5-9-16/h3-11,21,24H,2,12-15H2,1H3,(H,27,28)/t21-/m0/s1