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

Systemtic Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-(2-methyl-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(2-methyl-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbethoxypiperazin-1-ium-1-yl)-2-(2-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=C(NC3=CC=CC=C32)C)C(=O)[O-]

Isomeric SMILES

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

InChI

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