[4-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(2-hydroxyethyl)azanium

Systemtic Name: [4-(6-cyclopentyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(2-hydroxyethyl)azanium Openeye Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(2-hydroxyethyl)ammonium CAS Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(2-hydroxyethyl)ammonium IUPAC Name: [4-(6-cyclopentyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-ethyl-(2-hydroxyethyl)azanium Traditional Name: [4-(6-cyclopentyl-4-keto-1H-pyrimidin-2-yl)benzyl]-ethyl-(2-hydroxyethyl)ammonium Formula: C20H28N3O2+ MolecularWeight: 342.45522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O2/c1-2-23(11-12-24)14-15-7-9-17(10-8-15)20-21-18(13-19(25)22-20)16-5-3-4-6-16/h7-10,13,16,24H,2-6,11-12,14H2,1H3,(H,21,22,25)/p+1