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

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

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

COCC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O2/c1-23-13-15-11-16(22)19-17(18-15)21-9-7-20(8-10-21)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12-13H2,1H3,(H,18,19,22)/p+1