(5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-(phenylmethyl)azanium

Systemtic Name: (5-ethoxycarbonyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-(phenylmethyl)azanium Openeye Name: benzyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-ethyl-ammonium CAS Name: (5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl-ethyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-ethylazanium Traditional Name: benzyl-[(5-carbethoxy-2-keto-3,4-dihydro-1H-pyrimidin-6-yl)methyl]-ethyl-ammonium Formula: C17H24N3O3+ MolecularWeight: 318.39076

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC=CC=C1)CC2=C(CNC(=O)N2)C(=O)OCC

Isomeric SMILES

CC[NH+](CC1=CC=CC=C1)CC2=C(CNC(=O)N2)C(=O)OCC

InChI

InChI=1S/C17H23N3O3/c1-3-20(11-13-8-6-5-7-9-13)12-15-14(16(21)23-4-2)10-18-17(22)19-15/h5-9H,3-4,10-12H2,1-2H3,(H2,18,19,22)/p+1