2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2S)-2-(4-methoxyphenyl)-1-azepanyl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2S)-2-(4-methoxyphenyl)azepan-1-yl]methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCCC[C@H]3C4=CC=C(C=C4)OC

InChI

InChI=1S/C23H27N3O2/c1-17-7-6-14-26-22(27)15-19(24-23(17)26)16-25-13-5-3-4-8-21(25)18-9-11-20(28-2)12-10-18/h6-7,9-12,14-15,21H,3-5,8,13,16H2,1-2H3/p+1/t21-/m0/s1