2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)OC)C=C1

InChI

InChI=1S/C21H24N4O2/c1-16-3-8-20-22-17(13-21(26)25(20)14-16)15-23-9-11-24(12-10-23)18-4-6-19(27-2)7-5-18/h3-8,13-14H,9-12,15H2,1-2H3/p+1