(2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-[4-(2-cyanoethyl)-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-(2-cyanoethyl)piperazin-1-ium-1-yl]acetate Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CCC#N

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CCC#N

InChI

InChI=1S/C24H26N4O3/c25-9-4-10-27-11-13-28(14-12-27)23(24(29)30)21-16-26-22-8-7-19(15-20(21)22)31-17-18-5-2-1-3-6-18/h1-3,5-8,15-16,23,26H,4,10-14,17H2,(H,29,30)/t23-/m1/s1