3-[4-(3-bromanyl-4-methoxy-phenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]propyl-dimethyl-azanium

Systemtic Name: 3-[4-(3-bromanyl-4-methoxy-phenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]propyl-dimethyl-azanium Openeye Name: 3-[2-anilino-4-(3-bromo-4-methoxy-phenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium CAS Name: 3-[2-anilino-4-(3-bromo-4-methoxyphenyl)-3-thiazol-3-iumyl]propyl-dimethylammonium IUPAC Name: 3-[2-anilino-4-(3-bromo-4-methoxyphenyl)-1,3-thiazol-3-ium-3-yl]propyl-dimethylazanium Traditional Name: 3-[2-anilino-4-(3-bromo-4-methoxy-phenyl)thiazol-3-ium-3-yl]propyl-dimethyl-ammonium Formula: C21H26BrN3OS+2 MolecularWeight: 448.41964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCC[N+]1=C(SC=C1C2=CC(=C(C=C2)OC)Br)NC3=CC=CC=C3

Isomeric SMILES

C[NH+](C)CCC[N+]1=C(SC=C1C2=CC(=C(C=C2)OC)Br)NC3=CC=CC=C3

InChI

InChI=1S/C21H24BrN3OS/c1-24(2)12-7-13-25-19(16-10-11-20(26-3)18(22)14-16)15-27-21(25)23-17-8-5-4-6-9-17/h4-6,8-11,14-15H,7,12-13H2,1-3H3/p+2