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

Systemtic Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(4-chlorophenyl)methyl]-6-methyl-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-[(4-chlorophenyl)methyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-5-(4-chlorobenzyl)-6-methyl-1H-pyrimidin-4-one Formula: C23H26ClN4O+ MolecularWeight: 409.93174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H25ClN4O/c1-17-21(15-18-7-9-20(24)10-8-18)22(29)26-23(25-17)28-13-11-27(12-14-28)16-19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H,25,26,29)/p+1