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

Systemtic Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(2R)-2-(4-methoxyphenyl)-1-azepan-1-iumyl]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(2R)-2-(4-methoxyphenyl)azepan-1-ium-1-yl]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CCCCCC3C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)C[NH+]3CCCCC[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-/m1/s1