(2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethanoate Openeye Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate CAS Name: (2S)-2-(4-ethyl-1-piperazin-1-iumyl)-2-(5-methoxy-1H-indol-3-yl)acetate IUPAC Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Traditional Name: (2S)-2-(4-ethylpiperazin-1-ium-1-yl)-2-(5-methoxy-1H-indol-3-yl)acetate Formula: C17H23N3O3 MolecularWeight: 317.38282

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CC[NH+](CC1)C(C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

Isomeric SMILES

CCN1CC[NH+](CC1)[C@@H](C2=CNC3=C2C=C(C=C3)OC)C(=O)[O-]

InChI

InChI=1S/C17H23N3O3/c1-3-19-6-8-20(9-7-19)16(17(21)22)14-11-18-15-5-4-12(23-2)10-13(14)15/h4-5,10-11,16,18H,3,6-9H2,1-2H3,(H,21,22)/t16-/m0/s1