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

Systemtic Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(2-methyl-1H-indol-3-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetate Formula: C20H23N3O2S MolecularWeight: 369.48052

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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=CS4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O2S/c1-14-18(16-6-2-3-7-17(16)21-14)19(20(24)25)23-10-8-22(9-11-23)13-15-5-4-12-26-15/h2-7,12,19,21H,8-11,13H2,1H3,(H,24,25)/t19-/m0/s1