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

Systemtic Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-ethoxycarbonyl-1-piperazin-1-iumyl)-2-(1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethoxycarbonylpiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-carbethoxypiperazin-1-ium-1-yl)-2-(1H-indol-3-yl)acetate Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@@H](C2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-2-24-17(23)20-9-7-19(8-10-20)15(16(21)22)13-11-18-14-6-4-3-5-12(13)14/h3-6,11,15,18H,2,7-10H2,1H3,(H,21,22)/t15-/m0/s1