1-(4-nitrophenyl)-4-propyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide

Systemtic Name: 1-(4-nitrophenyl)-4-propyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Openeye Name: 1-(4-nitrophenyl)-4-propyl-thiazolo[3,2-a]quinazolin-4-ium-5-one bromide CAS Name: 1-(4-nitrophenyl)-4-propyl-5-thiazolo[3,2-a]quinazolin-4-iumone bromide IUPAC Name: 1-(4-nitrophenyl)-4-propyl-[1,3]thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Traditional Name: 1-(4-nitrophenyl)-4-propyl-thiazolo[3,2-a]quinazolin-4-ium-5-one bromide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C2N(C3=CC=CC=C3C1=O)C(=CS2)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CCC[N+]1=C2N(C3=CC=CC=C3C1=O)C(=CS2)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C19H16N3O3S.BrH/c1-2-11-20-18(23)15-5-3-4-6-16(15)21-17(12-26-19(20)21)13-7-9-14(10-8-13)22(24)25;/h3-10,12H,2,11H2,1H3;1H/q+1;/p-1