2-[4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile

Systemtic Name: 2-[4-[(9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Openeye Name: 2-[4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile CAS Name: 2-[4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-1-piperazinyl]-4-pyridinecarbonitrile IUPAC Name: 2-[4-[(9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazin-1-yl]pyridine-4-carbonitrile Traditional Name: 2-[4-[(4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]piperazino]isonicotinonitrile Formula: C20H21N6O+ MolecularWeight: 361.42034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCN(CC3)C4=NC=CC(=C4)C#N

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCN(CC3)C4=NC=CC(=C4)C#N

InChI

InChI=1S/C20H20N6O/c1-15-3-2-6-26-19(27)12-17(23-20(15)26)14-24-7-9-25(10-8-24)18-11-16(13-21)4-5-22-18/h2-6,11-12H,7-10,14H2,1H3/p+1