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

Systemtic Name: 5,6-dimethyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5,6-dimethyl-1H-pyrimidin-4-one Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2CC[NH+](CC2)CC3=CC=CC=C3)C

InChI

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