[2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(3S)-3-oxidanyl-3-phenyl-propyl]azanium

Systemtic Name: [2-(6-ethyl-4-oxidanylidene-1H-pyrimidin-2-yl)phenyl]methyl-methyl-[(3S)-3-oxidanyl-3-phenyl-propyl]azanium Openeye Name: [2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(3S)-3-hydroxy-3-phenyl-propyl]-methyl-ammonium CAS Name: [2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(3S)-3-hydroxy-3-phenylpropyl]-methylammonium IUPAC Name: [2-(6-ethyl-4-oxo-1H-pyrimidin-2-yl)phenyl]methyl-[(3S)-3-hydroxy-3-phenylpropyl]-methylazanium Traditional Name: [2-(6-ethyl-4-keto-1H-pyrimidin-2-yl)benzyl]-[(3S)-3-hydroxy-3-phenyl-propyl]-methyl-ammonium Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CCC(C3=CC=CC=C3)O

Isomeric SMILES

CCC1=CC(=O)N=C(N1)C2=CC=CC=C2C[NH+](C)CC[C@@H](C3=CC=CC=C3)O

InChI

InChI=1S/C23H27N3O2/c1-3-19-15-22(28)25-23(24-19)20-12-8-7-11-18(20)16-26(2)14-13-21(27)17-9-5-4-6-10-17/h4-12,15,21,27H,3,13-14,16H2,1-2H3,(H,24,25,28)/p+1/t21-/m0/s1