cyclohexyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-[(4-fluorophenyl)methyl]azanium

Systemtic Name: cyclohexyl-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-[(4-fluorophenyl)methyl]azanium Openeye Name: cyclohexyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-[(4-fluorophenyl)methyl]ammonium CAS Name: cyclohexyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-[(4-fluorophenyl)methyl]ammonium IUPAC Name: cyclohexyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-[(4-fluorophenyl)methyl]azanium Traditional Name: (5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl-cyclohexyl-(4-fluorobenzyl)ammonium Formula: C21H29FN3O3+ MolecularWeight: 390.471663

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)C[NH+](CC2=CC=C(C=C2)F)C3CCCCC3

InChI

InChI=1S/C21H28FN3O3/c1-2-28-20(26)18-12-23-21(27)24-19(18)14-25(17-6-4-3-5-7-17)13-15-8-10-16(22)11-9-15/h8-11,17H,2-7,12-14H2,1H3,(H2,23,24,27)/p+1