(7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-ethyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: (7-bromanyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methyl-ethyl-(thiophen-2-ylmethyl)azanium Openeye Name: (7-bromo-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methyl-ethyl-(2-thienylmethyl)ammonium CAS Name: (7-bromo-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methyl-ethyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: (7-bromo-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl-ethyl-(thiophen-2-ylmethyl)azanium Traditional Name: (7-bromo-4-keto-pyrido[1,2-a]pyrimidin-2-yl)methyl-ethyl-(2-thenyl)ammonium Formula: C16H17BrN3OS+ MolecularWeight: 379.29468

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CS1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

Isomeric SMILES

CC[NH+](CC1=CC=CS1)CC2=CC(=O)N3C=C(C=CC3=N2)Br

InChI

InChI=1S/C16H16BrN3OS/c1-2-19(11-14-4-3-7-22-14)10-13-8-16(21)20-9-12(17)5-6-15(20)18-13/h3-9H,2,10-11H2,1H3/p+1