4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-2-amine

Systemtic Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-2-amine Openeye Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiazol-3-ium-2-amine CAS Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(4-methyl-1-piperazin-4-iumyl)-2-thiazol-3-iumamine IUPAC Name: 4-(4-bromophenyl)-N-(4-ethoxyphenyl)-3-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazol-3-ium-2-amine Traditional Name: [4-(4-bromophenyl)-3-(4-methylpiperazin-4-ium-1-yl)thiazol-3-ium-2-yl]-p-phenetyl-amine Formula: C22H27BrN4OS+2 MolecularWeight: 475.44498

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)NC2=[N+](C(=CS2)C3=CC=C(C=C3)Br)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25BrN4OS/c1-3-28-20-10-8-19(9-11-20)24-22-27(26-14-12-25(2)13-15-26)21(16-29-22)17-4-6-18(23)7-5-17/h4-11,16H,3,12-15H2,1-2H3/p+2