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

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C22H26N4O2/c1-3-28-20-7-5-4-6-19(20)25-12-10-24(11-13-25)16-18-14-22(27)26-15-17(2)8-9-21(26)23-18/h4-9,14-15H,3,10-13,16H2,1-2H3/p+1