(2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])C4=NSC5=CC=CC=C54

InChI

InChI=1S/C21H20N4O2S/c26-21(27)19(16-13-22-17-7-3-1-5-14(16)17)24-9-11-25(12-10-24)20-15-6-2-4-8-18(15)28-23-20/h1-8,13,19,22H,9-12H2,(H,26,27)/t19-/m1/s1