2,6-dimethyl-5-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1H-pyrimidin-4-one

Systemtic Name: 2,6-dimethyl-5-[3-oxidanylidene-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]-1H-pyrimidin-4-one Openeye Name: 5-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxo-propyl]-2,6-dimethyl-1H-pyrimidin-4-one CAS Name: 2,6-dimethyl-5-[3-oxo-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-1H-pyrimidin-4-one IUPAC Name: 5-[3-(4-benzylpiperazin-4-ium-1-yl)-3-oxopropyl]-2,6-dimethyl-1H-pyrimidin-4-one Traditional Name: 5-[3-(4-benzylpiperazin-4-ium-1-yl)-3-keto-propyl]-2,6-dimethyl-1H-pyrimidin-4-one Formula: C20H27N4O2+ MolecularWeight: 355.45398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-15-18(20(26)22-16(2)21-15)8-9-19(25)24-12-10-23(11-13-24)14-17-6-4-3-5-7-17/h3-7H,8-14H2,1-2H3,(H,21,22,26)/p+1