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

Systemtic Name: 5-ethyl-4-oxidanyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-6-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one CAS Name: 5-ethyl-4-hydroxy-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-6-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-ethyl-4-hydroxy-1H-pyrimidin-6-one Formula: C17H23N4O2+ MolecularWeight: 315.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2/c1-2-14-15(22)18-17(19-16(14)23)21-10-8-20(9-11-21)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H2,18,19,22,23)/p+1