9-methyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 9-methyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 9-methyl-2-[[4-(phenylmethyl)-1,4-diazepan-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[(4-benzyl-1,4-diazepan-1-yl)methyl]-9-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=C2NC(=CC(=O)[N+]2=CC=C1)CN3CCCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H26N4O/c1-18-7-5-12-26-21(27)15-20(23-22(18)26)17-25-11-6-10-24(13-14-25)16-19-8-3-2-4-9-19/h2-5,7-9,12,15H,6,10-11,13-14,16-17H2,1H3/p+1