4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-3-(3-morpholinopropyl)thiazol-3-ium-2-amine CAS Name: 4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-3-[3-(4-morpholinyl)propyl]-2-thiazol-3-iumamine IUPAC Name: 4-(4-bromophenyl)-N-(2,3-dimethylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(4-bromophenyl)-3-(3-morpholinopropyl)thiazol-3-ium-2-yl]-(2,3-dimethylphenyl)amine Formula: C24H29BrN3OS+ MolecularWeight: 487.47556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CCCN4CCOCC4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CCCN4CCOCC4)C

InChI

InChI=1S/C24H28BrN3OS/c1-18-5-3-6-22(19(18)2)26-24-28(12-4-11-27-13-15-29-16-14-27)23(17-30-24)20-7-9-21(25)10-8-20/h3,5-10,17H,4,11-16H2,1-2H3/p+1