(2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetate Formula: C19H20BrN3O2S MolecularWeight: 434.35

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])CC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)Br)C(=O)[O-])CC4=CC=CS4

InChI

InChI=1S/C19H20BrN3O2S/c20-13-3-4-15-16(11-21-17(15)10-13)18(19(24)25)23-7-5-22(6-8-23)12-14-2-1-9-26-14/h1-4,9-11,18,21H,5-8,12H2,(H,24,25)/t18-/m1/s1