6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[4-[[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C21H27N6O+ MolecularWeight: 379.47868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=NN=CN4C

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)C4=NN=CN4C

InChI

InChI=1S/C21H26N6O/c1-3-18-12-19(28)24-20(23-18)16-6-4-15(5-7-16)13-27-10-8-17(9-11-27)21-25-22-14-26(21)2/h4-7,12,14,17H,3,8-11,13H2,1-2H3,(H,23,24,28)/p+1