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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate Formula: C25H25N3O2 MolecularWeight: 399.4849

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H25N3O2/c29-25(30)24(22-16-26-23-11-4-3-10-21(22)23)28-14-12-27(13-15-28)17-19-8-5-7-18-6-1-2-9-20(18)19/h1-11,16,24,26H,12-15,17H2,(H,29,30)/t24-/m1/s1