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

Systemtic Name: methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: 2-[4-(2-thiazolyl)-1-piperazin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-(1,3-thiazol-2-yl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-(4-thiazol-2-ylpiperazin-1-ium-1-yl)acetic acid methyl ester Formula: C10H16N3O2S+ MolecularWeight: 242.31794

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[NH+]1CCN(CC1)C2=NC=CS2

Isomeric SMILES

COC(=O)C[NH+]1CCN(CC1)C2=NC=CS2

InChI

InChI=1S/C10H15N3O2S/c1-15-9(14)8-12-3-5-13(6-4-12)10-11-2-7-16-10/h2,7H,3-6,8H2,1H3/p+1