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

Systemtic Name: 6-ethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-ethyl-1H-pyrimidin-4-one Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c1-2-15-12-16(22)19-17(18-15)21-10-8-20(9-11-21)13-14-6-4-3-5-7-14/h3-7,12H,2,8-11,13H2,1H3,(H,18,19,22)/p+1