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

Systemtic Name: 2-[3-[(2-azanyl-6-methyl-pyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl ethanoate Openeye Name: 2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl acetate CAS Name: acetic acid 2-[3-[(2-amino-6-methyl-3-pyridinyl)methyl]-4-methyl-5-thiazol-3-iumyl]ethyl ester IUPAC Name: 2-[3-[(2-amino-6-methylpyridin-3-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl acetate Traditional Name: acetic acid 2-[3-[(2-amino-6-methyl-3-pyridyl)methyl]-4-methyl-thiazol-3-ium-5-yl]ethyl ester Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N3O2S/c1-10-4-5-13(15(16)17-10)8-18-9-21-14(11(18)2)6-7-20-12(3)19/h4-5,9H,6-8H2,1-3H3,(H2,16,17)/q+1