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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate Formula: C26H27N3O2 MolecularWeight: 413.51148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O2/c1-18-24(22-11-4-5-12-23(22)27-18)25(26(30)31)29-15-13-28(14-16-29)17-20-9-6-8-19-7-2-3-10-21(19)20/h2-12,25,27H,13-17H2,1H3,(H,30,31)/t25-/m0/s1