2-[4-(1,3-benzodioxol-5-yl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]ethanol bromide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-2-phenylazanyl-1,3-thiazol-3-ium-3-yl]ethanol bromide Openeye Name: 2-[2-anilino-4-(1,3-benzodioxol-5-yl)thiazol-3-ium-3-yl]ethanol bromide CAS Name: 2-[2-anilino-4-(1,3-benzodioxol-5-yl)-3-thiazol-3-iumyl]ethanol bromide IUPAC Name: 2-[2-anilino-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-3-ium-3-yl]ethanol bromide Traditional Name: 2-[2-anilino-4-(1,3-benzodioxol-5-yl)thiazol-3-ium-3-yl]ethanol bromide Formula: C18H17BrN2O3S MolecularWeight: 421.30818

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CSC(=[N+]3CCO)NC4=CC=CC=C4.[Br-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CSC(=[N+]3CCO)NC4=CC=CC=C4.[Br-]

InChI

InChI=1S/C18H16N2O3S.BrH/c21-9-8-20-15(13-6-7-16-17(10-13)23-12-22-16)11-24-18(20)19-14-4-2-1-3-5-14;/h1-7,10-11,21H,8-9,12H2;1H