6-methyl-2-[3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-methyl-2-[3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[3-[[(2S)-4-methyl-2-phenyl-1-piperazin-4-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[3-[[(2S)-4-methyl-2-phenylpiperazin-4-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[3-[[(2S)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C23H27N4O+ MolecularWeight: 375.48668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CC[NH+](CC3C4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC(=CC=C2)CN3CC[NH+](C[C@@H]3C4=CC=CC=C4)C

InChI

InChI=1S/C23H26N4O/c1-17-13-22(28)25-23(24-17)20-10-6-7-18(14-20)15-27-12-11-26(2)16-21(27)19-8-4-3-5-9-19/h3-10,13-14,21H,11-12,15-16H2,1-2H3,(H,24,25,28)/p+1/t21-/m1/s1