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

Systemtic Name: 6-methyl-2-[2-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-[2-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one CAS Name: 6-methyl-2-[2-[[(2S)-2-[2-(1-pyrazolyl)ethyl]-1-piperidin-1-iumyl]methyl]phenyl]-1H-pyrimidin-4-one IUPAC Name: 6-methyl-2-[2-[[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-ium-1-yl]methyl]phenyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-2-[2-[[(2S)-2-(2-pyrazol-1-ylethyl)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:

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCCC3CCN4C=CC=N4

Isomeric SMILES

CC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+]3CCCC[C@H]3CCN4C=CC=N4

InChI

InChI=1S/C22H27N5O/c1-17-15-21(28)25-22(24-17)20-9-3-2-7-18(20)16-26-12-5-4-8-19(26)10-14-27-13-6-11-23-27/h2-3,6-7,9,11,13,15,19H,4-5,8,10,12,14,16H2,1H3,(H,24,25,28)/p+1/t19-/m0/s1