[3-[6-(cyclopentylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium

Systemtic Name: [3-[6-(cyclopentylmethyl)-4-oxidanylidene-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [3-[6-(cyclopentylmethyl)-4-oxo-1H-pyrimidin-2-yl]phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [3-[6-(cyclopentylmethyl)-4-keto-1H-pyrimidin-2-yl]benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CC3CCCC3)CC4=CC=NN4

Isomeric SMILES

C[NH+](CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CC3CCCC3)CC4=CC=NN4

InChI

InChI=1S/C22H27N5O/c1-27(15-19-9-10-23-26-19)14-17-7-4-8-18(11-17)22-24-20(13-21(28)25-22)12-16-5-2-3-6-16/h4,7-11,13,16H,2-3,5-6,12,14-15H2,1H3,(H,23,26)(H,24,25,28)/p+1