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

Systemtic Name: 5-(2-hydroxyethyl)-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-(2-hydroxyethyl)-6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Formula: C18H25N4O2+ MolecularWeight: 329.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2/c1-14-16(7-12-23)17(24)20-18(19-14)22-10-8-21(9-11-22)13-15-5-3-2-4-6-15/h2-6,23H,7-13H2,1H3,(H,19,20,24)/p+1