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

Systemtic Name: 6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Formula: C16H21N4O+ MolecularWeight: 285.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3

InChI

InChI=1S/C16H20N4O/c1-13-11-15(21)18-16(17-13)20-9-7-19(8-10-20)12-14-5-3-2-4-6-14/h2-6,11H,7-10,12H2,1H3,(H,17,18,21)/p+1