6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-(phenylmethyl)-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-5-(phenylmethyl)-1H-pyrimidin-4-one Openeye Name: 5-benzyl-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 6-methyl-2-(4-methyl-1-piperazin-4-iumyl)-5-(phenylmethyl)-1H-pyrimidin-4-one IUPAC Name: 5-benzyl-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 5-benzyl-6-methyl-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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