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

Systemtic Name: (2S)-2-(5-chloranyl-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2S)-2-(5-chloro-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate CAS Name: (2S)-2-(5-chloro-1H-indol-3-yl)-2-(4-ethyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2S)-2-(5-chloro-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate Traditional Name: (2S)-2-(5-chloro-1H-indol-3-yl)-2-(4-ethylpiperazin-1-ium-1-yl)acetate Formula: C16H20ClN3O2 MolecularWeight: 321.8019

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20ClN3O2/c1-2-19-5-7-20(8-6-19)15(16(21)22)13-10-18-14-4-3-11(17)9-12(13)14/h3-4,9-10,15,18H,2,5-8H2,1H3,(H,21,22)/t15-/m0/s1