6-butyl-2-[3-[(2,2-dimethylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-butyl-2-[3-[(2,2-dimethylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-butyl-2-[3-[(2,2-dimethylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-butyl-2-[3-[(2,2-dimethyl-1-piperazin-1-iumyl)methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-butyl-2-[3-[(2,2-dimethylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-butyl-2-[3-[(2,2-dimethylpiperazin-1-ium-1-yl)methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H31N4O+ MolecularWeight: 355.49704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCNCC3(C)C

Isomeric SMILES

CCCCC1=CC(=O)N=C(N1)C2=CC(=CC=C2)C[NH+]3CCNCC3(C)C

InChI

InChI=1S/C21H30N4O/c1-4-5-9-18-13-19(26)24-20(23-18)17-8-6-7-16(12-17)14-25-11-10-22-15-21(25,2)3/h6-8,12-13,22H,4-5,9-11,14-15H2,1-3H3,(H,23,24,26)/p+1