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

Systemtic Name: 5-ethyl-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-6-methyl-1H-pyrimidin-4-one Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H24N4O/c1-3-16-14(2)19-18(20-17(16)23)22-11-9-21(10-12-22)13-15-7-5-4-6-8-15/h4-8H,3,9-13H2,1-2H3,(H,19,20,23)/p+1