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

Systemtic Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(5-methyl-2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(5-methyl-2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: cycloheptyl-[[(4R)-5-ethoxycarbonyl-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4R)-5-carbethoxy-2-keto-4-(5-methyl-2-furyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cycloheptyl-methyl-ammonium Formula: C21H32N3O4+ MolecularWeight: 390.49648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(O2)C)C[NH+](C)C3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(O2)C)C[NH+](C)C3CCCCCC3

InChI

InChI=1S/C21H31N3O4/c1-4-27-20(25)18-16(13-24(3)15-9-7-5-6-8-10-15)22-21(26)23-19(18)17-12-11-14(2)28-17/h11-12,15,19H,4-10,13H2,1-3H3,(H2,22,23,26)/p+1/t19-/m0/s1