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

Systemtic Name: methyl 2-[(2R)-3-oxidanylidene-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-2-yl]ethanoate Openeye Name: methyl 2-[(2R)-3-oxo-1-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-2-yl]acetate CAS Name: 2-[(2R)-3-oxo-1-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-2-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[(2R)-3-oxo-1-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-ium-2-yl]acetate Traditional Name: 2-[(2R)-3-keto-1-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-1-ium-2-yl]acetic acid methyl ester Formula: C15H18N3O3S2+ MolecularWeight: 352.45172

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)NCC[NH+]1CC2=CSC(=N2)C3=CSC=C3

Isomeric SMILES

COC(=O)C[C@@H]1C(=O)NCC[NH+]1CC2=CSC(=N2)C3=CSC=C3

InChI

InChI=1S/C15H17N3O3S2/c1-21-13(19)6-12-14(20)16-3-4-18(12)7-11-9-23-15(17-11)10-2-5-22-8-10/h2,5,8-9,12H,3-4,6-7H2,1H3,(H,16,20)/p+1/t12-/m1/s1