2-[4-(4-methoxyphenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanol bromide

Systemtic Name: 2-[4-(4-methoxyphenyl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanol bromide Openeye Name: 2-[2-anilino-4-(4-methoxyphenyl)thiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanol bromide CAS Name: 2-[2-anilino-4-(4-methoxyphenyl)-3-thiazol-3-iumyl]-1-(4-nitrophenyl)ethanol bromide IUPAC Name: 2-[2-anilino-4-(4-methoxyphenyl)-1,3-thiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanol bromide Traditional Name: 2-[2-anilino-4-(4-methoxyphenyl)thiazol-3-ium-3-yl]-1-(4-nitrophenyl)ethanol bromide Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC(C3=CC=C(C=C3)[N+](=O)[O-])O)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=[N+]2CC(C3=CC=C(C=C3)[N+](=O)[O-])O)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C24H21N3O4S.BrH/c1-31-21-13-9-17(10-14-21)22-16-32-24(25-19-5-3-2-4-6-19)26(22)15-23(28)18-7-11-20(12-8-18)27(29)30;/h2-14,16,23,28H,15H2,1H3;1H