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

Systemtic Name: 4-(4-bromophenyl)-N-(2-methylphenyl)-3-(3-morpholin-4-ylpropyl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(4-bromophenyl)-3-(3-morpholinopropyl)-N-(o-tolyl)thiazol-3-ium-2-amine CAS Name: 4-(4-bromophenyl)-N-(2-methylphenyl)-3-[3-(4-morpholinyl)propyl]-2-thiazol-3-iumamine IUPAC Name: 4-(4-bromophenyl)-N-(2-methylphenyl)-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]-(o-tolyl)amine Formula: C23H27BrN3OS+ MolecularWeight: 473.44898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CCCN4CCOCC4

Isomeric SMILES

CC1=CC=CC=C1NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)CCCN4CCOCC4

InChI

InChI=1S/C23H26BrN3OS/c1-18-5-2-3-6-21(18)25-23-27(12-4-11-26-13-15-28-16-14-26)22(17-29-23)19-7-9-20(24)10-8-19/h2-3,5-10,17H,4,11-16H2,1H3/p+1