6-methyl-5-(2-phenoxyethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-phenoxyethyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(2-phenoxyethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-(2-phenoxyethyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(2-phenoxyethyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(2-phenoxyethyl)-1H-pyrimidin-4-one Formula: C24H29N4O2+ MolecularWeight: 405.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CCOC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2/c1-19-22(12-17-30-21-10-6-3-7-11-21)23(29)26-24(25-19)28-15-13-27(14-16-28)18-20-8-4-2-5-9-20/h2-11H,12-18H2,1H3,(H,25,26,29)/p+1