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

Systemtic Name: 2-(azepan-1-yl)-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Openeye Name: 2-(azepan-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde CAS Name: 2-(1-azepanyl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carboxaldehyde IUPAC Name: 2-(azepan-1-yl)-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Traditional Name: 2-(azepan-1-yl)-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-3-carbaldehyde Formula: C15H18N3O2+ MolecularWeight: 272.32232

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)C=O

Isomeric SMILES

C1CCCN(CC1)C2=C(C(=O)[N+]3=CC=CC=C3N2)C=O

InChI

InChI=1S/C15H17N3O2/c19-11-12-14(17-8-4-1-2-5-9-17)16-13-7-3-6-10-18(13)15(12)20/h3,6-7,10-11H,1-2,4-5,8-9H2/p+1