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

Systemtic Name: [(1R)-1-(4-bromophenyl)propyl]-[(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl]azanium Openeye Name: [(1R)-1-(4-bromophenyl)propyl]-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]ammonium CAS Name: [(1R)-1-(4-bromophenyl)propyl]-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]ammonium IUPAC Name: [(1R)-1-(4-bromophenyl)propyl]-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]azanium Traditional Name: [(1R)-1-(4-bromophenyl)propyl]-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl]ammonium Formula: C17H23BrN3O3+ MolecularWeight: 397.28682

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=C(C=C1)Br)[NH2+]CC2=C(CNC(=O)N2)C(=O)OCC

Isomeric SMILES

CC[C@H](C1=CC=C(C=C1)Br)[NH2+]CC2=C(CNC(=O)N2)C(=O)OCC

InChI

InChI=1S/C17H22BrN3O3/c1-3-14(11-5-7-12(18)8-6-11)19-10-15-13(16(22)24-4-2)9-20-17(23)21-15/h5-8,14,19H,3-4,9-10H2,1-2H3,(H2,20,21,23)/p+1/t14-/m1/s1