(2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(1-naphthalenylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(7-methoxy-1H-indol-3-yl)-2-[4-(1-naphthylmethyl)piperazin-1-ium-1-yl]acetate Formula: C26H27N3O3 MolecularWeight: 429.51088

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

COC1=CC=CC2=C1NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C26H27N3O3/c1-32-23-11-5-10-21-22(16-27-24(21)23)25(26(30)31)29-14-12-28(13-15-29)17-19-8-4-7-18-6-2-3-9-20(18)19/h2-11,16,25,27H,12-15,17H2,1H3,(H,30,31)/t25-/m0/s1