(7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl N,N-diethylcarbamodithioate

Systemtic Name: (7-bromanyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl N,N-diethylcarbamodithioate Openeye Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl N,N-diethylcarbamodithioate CAS Name: N,N-diethylcarbamodithioic acid (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-bromo-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl N,N-diethylcarbamodithioate Traditional Name: N,N-diethylcarbamodithioic acid (7-bromo-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C14H17BrN3OS2+ MolecularWeight: 387.33828

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

Isomeric SMILES

CCN(CC)C(=S)SCC1=CC(=O)[N+]2=C(N1)C=CC(=C2)Br

InChI

InChI=1S/C14H16BrN3OS2/c1-3-17(4-2)14(20)21-9-11-7-13(19)18-8-10(15)5-6-12(18)16-11/h5-8H,3-4,9H2,1-2H3/p+1