[4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-[(1S)-1-(furan-2-yl)ethyl]-methyl-azanium

Systemtic Name: [4-(6-cyclobutyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-[(1S)-1-(furan-2-yl)ethyl]-methyl-azanium Openeye Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(1S)-1-(2-furyl)ethyl]-methyl-ammonium CAS Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(1S)-1-(2-furanyl)ethyl]-methylammonium IUPAC Name: [4-(6-cyclobutyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(1S)-1-(furan-2-yl)ethyl]-methylazanium Traditional Name: [4-(6-cyclobutyl-4-keto-1H-pyrimidin-2-yl)benzyl]-[(1S)-1-(2-furyl)ethyl]-methyl-ammonium Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCC4

Isomeric SMILES

C[C@@H](C1=CC=CO1)[NH+](C)CC2=CC=C(C=C2)C3=NC(=O)C=C(N3)C4CCC4

InChI

InChI=1S/C22H25N3O2/c1-15(20-7-4-12-27-20)25(2)14-16-8-10-18(11-9-16)22-23-19(13-21(26)24-22)17-5-3-6-17/h4,7-13,15,17H,3,5-6,14H2,1-2H3,(H,23,24,26)/p+1/t15-/m0/s1