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

Systemtic Name: 2-chloranyl-5-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzenecarbonitrile Openeye Name: 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzonitrile CAS Name: 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzonitrile IUPAC Name: 2-chloro-5-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzonitrile Traditional Name: 2-chloro-5-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylamino]benzonitrile Formula: C17H14ClN4O+ MolecularWeight: 325.77226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=C(C=C3)Cl)C#N

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CNC3=CC(=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H13ClN4O/c1-11-2-5-16-21-14(7-17(23)22(16)10-11)9-20-13-3-4-15(18)12(6-13)8-19/h2-7,10,20H,9H2,1H3/p+1