N-[2-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-methoxy-benzamide bromide

Systemtic Name: N-[2-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-methoxy-benzamide bromide Openeye Name: N-[2-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]phenyl]-3-methoxy-benzamide bromide CAS Name: N-[2-[(4,5-dimethyl-3-thiazol-3-iumyl)methyl]phenyl]-3-methoxybenzamide bromide IUPAC Name: N-[2-[(4,5-dimethyl-1,3-thiazol-3-ium-3-yl)methyl]phenyl]-3-methoxybenzamide bromide Traditional Name: N-[2-[(4,5-dimethylthiazol-3-ium-3-yl)methyl]phenyl]-3-methoxy-benzamide bromide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OC)C.[Br-]

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CC=CC=C2NC(=O)C3=CC(=CC=C3)OC)C.[Br-]

InChI

InChI=1S/C20H20N2O2S.BrH/c1-14-15(2)25-13-22(14)12-17-7-4-5-10-19(17)21-20(23)16-8-6-9-18(11-16)24-3;/h4-11,13H,12H2,1-3H3;1H