(2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-(5-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbethoxypiperazin-1-ium-1-yl)-2-(5-methyl-1H-indol-3-yl)acetate Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)C)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)C)C(=O)[O-]

InChI

InChI=1S/C18H23N3O4/c1-3-25-18(24)21-8-6-20(7-9-21)16(17(22)23)14-11-19-15-5-4-12(2)10-13(14)15/h4-5,10-11,16,19H,3,6-9H2,1-2H3,(H,22,23)/t16-/m0/s1