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

Systemtic Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-thienylmethyl)piperazin-1-ium-1-yl]acetate CAS Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(thiophen-2-ylmethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2S)-2-(5-methoxy-1H-indol-3-yl)-2-[4-(2-thenyl)piperazin-1-ium-1-yl]acetate Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC=C2C(C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CS4

Isomeric SMILES

COC1=CC2=C(C=C1)NC=C2[C@@H](C(=O)[O-])[NH+]3CCN(CC3)CC4=CC=CS4

InChI

InChI=1S/C20H23N3O3S/c1-26-14-4-5-18-16(11-14)17(12-21-18)19(20(24)25)23-8-6-22(7-9-23)13-15-3-2-10-27-15/h2-5,10-12,19,21H,6-9,13H2,1H3,(H,24,25)/t19-/m0/s1