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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-(furan-2-yl)ethyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-(2-furyl)ethyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-(2-furanyl)ethyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-(furan-2-yl)ethyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(1R)-1-(2-furyl)ethyl]ammonium Formula: C16H24N3O4+ MolecularWeight: 322.37946

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH2+]C(C)C2=CC=CO2)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH2+][C@H](C)C2=CC=CO2)C(=O)OCC

InChI

InChI=1S/C16H23N3O4/c1-4-11-14(15(20)22-5-2)12(19-16(21)18-11)9-17-10(3)13-7-6-8-23-13/h6-8,10-11,17H,4-5,9H2,1-3H3,(H2,18,19,21)/p+1/t10-,11+/m1/s1