2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H23N4O2+ MolecularWeight: 351.42222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)C[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C20H22N4O2/c1-15-3-2-4-19-21-16(13-20(26)24(15)19)14-22-9-11-23(12-10-22)17-5-7-18(25)8-6-17/h2-8,13,25H,9-12,14H2,1H3/p+1