2-(azepan-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde

Systemtic Name: 2-(azepan-1-yl)-9-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-(1-azepanyl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(azepan-1-yl)-9-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(azepan-1-yl)-4-keto-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C16H20N3O2+ MolecularWeight: 286.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)N3CCCCCC3

Isomeric SMILES

CC1=C2NC(=C(C(=O)[N+]2=CC=C1)C=O)N3CCCCCC3

InChI

InChI=1S/C16H19N3O2/c1-12-7-6-10-19-14(12)17-15(13(11-20)16(19)21)18-8-4-2-3-5-9-18/h6-7,10-11H,2-5,8-9H2,1H3/p+1