[(1S)-2-methoxy-1-pyridin-2-yl-ethyl]-methyl-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: [(1S)-2-methoxy-1-pyridin-2-yl-ethyl]-methyl-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: [(1S)-2-methoxy-1-(2-pyridyl)ethyl]-methyl-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: [(1S)-2-methoxy-1-(2-pyridinyl)ethyl]-methyl-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: [(1S)-2-methoxy-1-pyridin-2-ylethyl]-methyl-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: [4-(4-keto-6-propyl-1H-pyrimidin-2-yl)benzyl]-[(1S)-2-methoxy-1-(2-pyridyl)ethyl]-methyl-ammonium Formula: C23H29N4O2+ MolecularWeight: 393.50196

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)C(COC)C3=CC=CC=N3

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](C)[C@H](COC)C3=CC=CC=N3

InChI

InChI=1S/C23H28N4O2/c1-4-7-19-14-22(28)26-23(25-19)18-11-9-17(10-12-18)15-27(2)21(16-29-3)20-8-5-6-13-24-20/h5-6,8-14,21H,4,7,15-16H2,1-3H3,(H,25,26,28)/p+1/t21-/m1/s1