ethyl-[(1R,2R)-2-oxidanylcyclohexyl]-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium

Systemtic Name: ethyl-[(1R,2R)-2-oxidanylcyclohexyl]-[[4-(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Openeye Name: ethyl-[(1R,2R)-2-hydroxycyclohexyl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium CAS Name: ethyl-[(1R,2R)-2-hydroxycyclohexyl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]ammonium IUPAC Name: ethyl-[(1R,2R)-2-hydroxycyclohexyl]-[[4-(4-oxo-6-propyl-1H-pyrimidin-2-yl)phenyl]methyl]azanium Traditional Name: ethyl-[(1R,2R)-2-hydroxycyclohexyl]-[4-(4-keto-6-propyl-1H-pyrimidin-2-yl)benzyl]ammonium Formula: C22H32N3O2+ MolecularWeight: 370.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](CC)C3CCCCC3O

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)C2=CC=C(C=C2)C[NH+](CC)[C@@H]3CCCC[C@H]3O

InChI

InChI=1S/C22H31N3O2/c1-3-7-18-14-21(27)24-22(23-18)17-12-10-16(11-13-17)15-25(4-2)19-8-5-6-9-20(19)26/h10-14,19-20,26H,3-9,15H2,1-2H3,(H,23,24,27)/p+1/t19-,20-/m1/s1