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

Systemtic Name: 2-[3-[(2-azanyl-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Openeye Name: 2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate CAS Name: 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethanolate IUPAC Name: 2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanolate Traditional Name: 2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethanolate Formula: C13H17N3OS MolecularWeight: 263.35858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CC[O-])N

Isomeric SMILES

CC1=NC(=C(C=C1)C[N+]2=CSC(=C2C)CC[O-])N

InChI

InChI=1S/C13H17N3OS/c1-9-3-4-11(13(14)15-9)7-16-8-18-12(5-6-17)10(16)2/h3-4,8H,5-7H2,1-2H3,(H2,14,15)