6-ethyl-2-[4-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one

Systemtic Name: 6-ethyl-2-[4-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-ethyl-2-[4-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-ethyl-2-[4-[[4-(1-pyrazolylmethyl)-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-ethyl-2-[4-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-ethyl-2-[4-[[4-(pyrazol-1-ylmethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CN4C=CC=N4

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+]3CCC(CC3)CN4C=CC=N4

InChI

InChI=1S/C22H27N5O/c1-2-20-14-21(28)25-22(24-20)19-6-4-17(5-7-19)15-26-12-8-18(9-13-26)16-27-11-3-10-23-27/h3-7,10-11,14,18H,2,8-9,12-13,15-16H2,1H3,(H,24,25,28)/p+1