2-[[4-(3,5-dimethoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[4-(3,5-dimethoxy-4-methyl-phenyl)carbonylpiperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[4-(3,5-dimethoxy-4-methyl-benzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[4-[(3,5-dimethoxy-4-methylphenyl)-oxomethyl]-1-piperazinyl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[4-(3,5-dimethoxy-4-methylbenzoyl)piperazin-1-yl]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[4-(3,5-dimethoxy-4-methyl-benzoyl)piperazino]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C23H27N4O4+ MolecularWeight: 423.48488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(=O)N2CCN(CC2)CC3=CC(=O)[N+]4=CC=CC=C4N3)OC

InChI

InChI=1S/C23H26N4O4/c1-16-19(30-2)12-17(13-20(16)31-3)23(29)26-10-8-25(9-11-26)15-18-14-22(28)27-7-5-4-6-21(27)24-18/h4-7,12-14H,8-11,15H2,1-3H3/p+1