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

Systemtic Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(2-phenyl-1H-indol-3-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetate Formula: C25H25N3O2S MolecularWeight: 431.5499

Click to see the large picture

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=CS5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=C(NC3=CC=CC=C32)C4=CC=CC=C4)C(=O)[O-])CC5=CC=CS5

InChI

InChI=1S/C25H25N3O2S/c29-25(30)24(28-14-12-27(13-15-28)17-19-9-6-16-31-19)22-20-10-4-5-11-21(20)26-23(22)18-7-2-1-3-8-18/h1-11,16,24,26H,12-15,17H2,(H,29,30)/t24-/m1/s1