N-(3-bromophenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine chloride

Systemtic Name: N-(3-bromophenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine chloride Openeye Name: 3-allyl-N-(3-bromophenyl)-4-(4-nitrophenyl)thiazol-3-ium-2-amine chloride CAS Name: N-(3-bromophenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-2-thiazol-3-iumamine chloride IUPAC Name: N-(3-bromophenyl)-4-(4-nitrophenyl)-3-prop-2-enyl-1,3-thiazol-3-ium-2-amine chloride Traditional Name: [3-allyl-4-(4-nitrophenyl)thiazol-3-ium-2-yl]-(3-bromophenyl)amine chloride Formula: C18H15BrClN3O2S MolecularWeight: 452.7526

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=CC=C3)Br.[Cl-]

Isomeric SMILES

C=CC[N+]1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC3=CC(=CC=C3)Br.[Cl-]

InChI

InChI=1S/C18H14BrN3O2S.ClH/c1-2-10-21-17(13-6-8-16(9-7-13)22(23)24)12-25-18(21)20-15-5-3-4-14(19)11-15;/h2-9,11-12H,1,10H2;1H