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

Systemtic Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-(2-phenyl-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(2-phenyl-1H-indol-3-yl)acetate Formula: C23H24N4O2 MolecularWeight: 388.46226

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CCC#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CCC#N

InChI

InChI=1S/C23H24N4O2/c24-11-6-12-26-13-15-27(16-14-26)22(23(28)29)20-18-9-4-5-10-19(18)25-21(20)17-7-2-1-3-8-17/h1-5,7-10,22,25H,6,12-16H2,(H,28,29)/t22-/m1/s1