ethyl 4-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C16H20BrN4O3+ MolecularWeight: 396.259

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C16H19BrN4O3/c1-2-24-16(23)20-7-5-19(6-8-20)11-13-9-15(22)21-10-12(17)3-4-14(21)18-13/h3-4,9-10H,2,5-8,11H2,1H3/p+1