methyl 3-[[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]pyridin-1-ium-2-yl]amino]propanoate

Systemtic Name: methyl 3-[[1-[(4-methyl-2-phenyl-1,3-thiazol-5-yl)carbonyl]pyridin-1-ium-2-yl]amino]propanoate Openeye Name: methyl 3-[[1-(4-methyl-2-phenyl-thiazole-5-carbonyl)pyridin-1-ium-2-yl]amino]propanoate CAS Name: 3-[[1-[(4-methyl-2-phenyl-5-thiazolyl)-oxomethyl]-2-pyridin-1-iumyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-[[1-(4-methyl-2-phenyl-1,3-thiazole-5-carbonyl)pyridin-1-ium-2-yl]amino]propanoate Traditional Name: 3-[[1-(4-methyl-2-phenyl-thiazole-5-carbonyl)pyridin-1-ium-2-yl]amino]propionic acid methyl ester Formula: C20H20N3O3S+ MolecularWeight: 382.4561

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)[N+]3=CC=CC=C3NCCC(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)[N+]3=CC=CC=C3NCCC(=O)OC

InChI

InChI=1S/C20H19N3O3S/c1-14-18(27-19(22-14)15-8-4-3-5-9-15)20(25)23-13-7-6-10-16(23)21-12-11-17(24)26-2/h3-10,13H,11-12H2,1-2H3/p+1