4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholin-4-ium bromide

Systemtic Name: 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholin-4-ium bromide Openeye Name: 4-[5-(4-methoxyphenyl)-4-phenyl-thiazol-2-yl]morpholin-4-ium bromide CAS Name: 4-[5-(4-methoxyphenyl)-4-phenyl-2-thiazolyl]morpholin-4-ium bromide IUPAC Name: 4-[5-(4-methoxyphenyl)-4-phenyl-1,3-thiazol-2-yl]morpholin-4-ium bromide Traditional Name: 4-[5-(4-methoxyphenyl)-4-phenyl-thiazol-2-yl]morpholin-4-ium bromide Formula: C20H21BrN2O2S MolecularWeight: 433.36194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=C(S2)[NH+]3CCOCC3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=C(S2)[NH+]3CCOCC3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C20H20N2O2S.BrH/c1-23-17-9-7-16(8-10-17)19-18(15-5-3-2-4-6-15)21-20(25-19)22-11-13-24-14-12-22;/h2-10H,11-14H2,1H3;1H