2-hydroxyethyl-methyl-[[3-(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-methyl-[[3-(4-oxidanylidene-6-phenethyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: 2-hydroxyethyl-methyl-[[3-(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: 2-hydroxyethyl-methyl-[[3-(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: 2-hydroxyethyl-methyl-[[3-(4-oxo-6-phenethyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: 2-hydroxyethyl-[3-(4-keto-6-phenethyl-1H-pyrimidin-2-yl)benzyl]-methyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCO)CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CCC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCO)CC1=CC=CC(=C1)C2=NC(=O)C=C(N2)CCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O2/c1-25(12-13-26)16-18-8-5-9-19(14-18)22-23-20(15-21(27)24-22)11-10-17-6-3-2-4-7-17/h2-9,14-15,26H,10-13,16H2,1H3,(H,23,24,27)/p+1