(2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate Formula: C25H24BrN3O2 MolecularWeight: 478.38096

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H24BrN3O2/c26-19-8-9-23-21(14-19)22(15-27-23)24(25(30)31)29-12-10-28(11-13-29)16-18-6-3-5-17-4-1-2-7-20(17)18/h1-9,14-15,24,27H,10-13,16H2,(H,30,31)/t24-/m1/s1