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

Systemtic Name: [4-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Openeye Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium CAS Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)ammonium IUPAC Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-methyl-(1H-pyrazol-5-ylmethyl)azanium Traditional Name: [4-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]-methyl-(1H-pyrazol-5-ylmethyl)ammonium Formula: C21H26N5O+ MolecularWeight: 364.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCCC3)CC4=CC=NN4

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)C2=NC(=O)C=C(N2)C3CCCC3)CC4=CC=NN4

InChI

InChI=1S/C21H25N5O/c1-26(14-18-10-11-22-25-18)13-15-6-8-17(9-7-15)21-23-19(12-20(27)24-21)16-4-2-3-5-16/h6-12,16H,2-5,13-14H2,1H3,(H,22,25)(H,23,24,27)/p+1