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

Systemtic Name: methyl-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]ammonium CAS Name: methyl-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]azanium Traditional Name: benzyl-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-methyl-ammonium Formula: C17H19N3O+2 MolecularWeight: 281.35226

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)CC2=CC(=O)[N+]3=CC=CC=C3N2

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)CC2=CC(=O)[N+]3=CC=CC=C3N2

InChI

InChI=1S/C17H17N3O/c1-19(12-14-7-3-2-4-8-14)13-15-11-17(21)20-10-6-5-9-16(20)18-15/h2-11H,12-13H2,1H3/p+2