2-[3-[(6-azanylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate

Systemtic Name: 2-[3-[(6-azanylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Openeye Name: 2-[3-[(6-amino-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate CAS Name: 2-[3-[(6-amino-3-pyridinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanolate IUPAC Name: 2-[3-[(6-aminopyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Traditional Name: 2-[3-[(6-amino-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate Formula: C12H15N3OS MolecularWeight: 249.332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN=C(C=C2)N)CC[O-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN=C(C=C2)N)CC[O-]

InChI

InChI=1S/C12H15N3OS/c1-9-11(4-5-16)17-8-15(9)7-10-2-3-12(13)14-6-10/h2-3,6,8H,4-5,7H2,1H3,(H2,13,14)