(2R)-2-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-phenyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-phenyl-2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-phenyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-phenyl-2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetate Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)[O-])C3=NC=CS3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)[O-])C3=NC=CS3

InChI

InChI=1S/C15H17N3O2S/c19-14(20)13(12-4-2-1-3-5-12)17-7-9-18(10-8-17)15-16-6-11-21-15/h1-6,11,13H,7-10H2,(H,19,20)/t13-/m1/s1