(5-bromanylthiophen-2-yl)methyl-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethyl-azanium

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethyl-azanium Openeye Name: (5-bromo-2-thienyl)methyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethyl-ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethylazanium Traditional Name: (5-bromo-2-thienyl)methyl-[(7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-ethyl-ammonium Formula: C16H17BrClN3OS+2 MolecularWeight: 414.74768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

Isomeric SMILES

CC[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)[N+]3=C(N2)C=CC(=C3)Cl

InChI

InChI=1S/C16H15BrClN3OS/c1-2-20(10-13-4-5-14(17)23-13)9-12-7-16(22)21-8-11(18)3-6-15(21)19-12/h3-8H,2,9-10H2,1H3/p+2