2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-azepanyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCCCN2CC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CCCCCN2CC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C22H25N3O2/c1-27-19-11-9-17(10-12-19)20-7-3-2-5-13-24(20)16-18-15-22(26)25-14-6-4-8-21(25)23-18/h4,6,8-12,14-15,20H,2-3,5,7,13,16H2,1H3/p+1/t20-/m1/s1