(2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(5-benzyloxy-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)-1-piperazin-1-iumyl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(1,2-benzothiazol-3-yl)piperazin-1-ium-1-yl]-2-(5-benzoxy-1H-indol-3-yl)acetate Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=NSC6=CC=CC=C65

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=NSC6=CC=CC=C65

InChI

InChI=1S/C28H26N4O3S/c33-28(34)26(31-12-14-32(15-13-31)27-21-8-4-5-9-25(21)36-30-27)23-17-29-24-11-10-20(16-22(23)24)35-18-19-6-2-1-3-7-19/h1-11,16-17,26,29H,12-15,18H2,(H,33,34)/t26-/m1/s1