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

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridinylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(pyridin-2-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-pyridylmethyl)piperazin-1-ium-1-yl]acetate Formula: C26H26N4O2 MolecularWeight: 426.51024

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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-])CC5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CC=CC=N5

InChI

InChI=1S/C26H26N4O2/c31-26(32)25(30-16-14-29(15-17-30)18-20-10-6-7-13-27-20)23-21-11-4-5-12-22(21)28-24(23)19-8-2-1-3-9-19/h1-13,25,28H,14-18H2,(H,31,32)/t25-/m1/s1