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

Systemtic Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methyl-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-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=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

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