(2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CCC#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])CCC#N

InChI

InChI=1S/C17H20N4O2/c18-6-3-7-20-8-10-21(11-9-20)16(17(22)23)14-12-19-15-5-2-1-4-13(14)15/h1-2,4-5,12,16,19H,3,7-11H2,(H,22,23)/t16-/m1/s1