2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-(2-ethoxyphenyl)-1-piperazin-1-iumyl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(2-ethoxyphenyl)piperazin-1-ium-1-yl]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 7-methyl-2-[(4-o-phenetylpiperazin-1-ium-1-yl)methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C22H28N4O2+2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)C

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=O)[N+]4=C(N3)C=CC(=C4)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+2