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

Systemtic Name: (5-bromanylthiophen-2-yl)methyl-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enyl-azanium Openeye Name: allyl-[(5-bromo-2-thienyl)methyl]-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium CAS Name: (5-bromo-2-thiophenyl)methyl-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enylammonium IUPAC Name: (5-bromothiophen-2-yl)methyl-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-prop-2-enylazanium Traditional Name: allyl-[(5-bromo-2-thienyl)methyl]-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium Formula: C17H18BrN3OS+2 MolecularWeight: 392.31332

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C=CC[NH+](CC1=CC=C(S1)Br)CC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H16BrN3OS/c1-2-8-20(12-14-6-7-15(18)23-14)11-13-10-17(22)21-9-4-3-5-16(21)19-13/h2-7,9-10H,1,8,11-12H2/p+2