2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-(phenylmethyl)-1H-pyrimidin-4-one

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

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