N-(4-methyl-1,3-thiazol-2-yl)-1-phenacyl-pyridin-1-ium-3-carboxamide bromide

Systemtic Name: N-(4-methyl-1,3-thiazol-2-yl)-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Openeye Name: N-(4-methylthiazol-2-yl)-1-phenacyl-pyridin-1-ium-3-carboxamide bromide CAS Name: N-(4-methyl-2-thiazolyl)-1-phenacyl-3-pyridin-1-iumcarboxamide bromide IUPAC Name: N-(4-methyl-1,3-thiazol-2-yl)-1-phenacylpyridin-1-ium-3-carboxamide bromide Traditional Name: N-(4-methylthiazol-2-yl)-1-phenacyl-pyridin-1-ium-3-carboxamide bromide Formula: C18H16BrN3O2S MolecularWeight: 418.30754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

Isomeric SMILES

CC1=CSC(=N1)NC(=O)C2=C[N+](=CC=C2)CC(=O)C3=CC=CC=C3.[Br-]

InChI

InChI=1S/C18H15N3O2S.BrH/c1-13-12-24-18(19-13)20-17(23)15-8-5-9-21(10-15)11-16(22)14-6-3-2-4-7-14;/h2-10,12H,11H2,1H3;1H