4-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine

Systemtic Name: 4-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Openeye Name: 4-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine CAS Name: 4-(3-methoxyphenyl)-2-(1-piperazin-4-iumyl)-6-(trifluoromethyl)pyrimidine IUPAC Name: 4-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Traditional Name: 4-(3-methoxyphenyl)-2-piperazin-4-ium-1-yl-6-(trifluoromethyl)pyrimidine Formula: C16H18F3N4O+ MolecularWeight: 339.33553

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

Isomeric SMILES

COC1=CC=CC(=C1)C2=CC(=NC(=N2)N3CC[NH2+]CC3)C(F)(F)F

InChI

InChI=1S/C16H17F3N4O/c1-24-12-4-2-3-11(9-12)13-10-14(16(17,18)19)22-15(21-13)23-7-5-20-6-8-23/h2-4,9-10,20H,5-8H2,1H3/p+1