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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[[(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium Formula: C23H28N3O5+ MolecularWeight: 426.48552

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)C[NH+](C)CC3=CC=C(C=C3)OCC=C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)C[NH+](C)CC3=CC=C(C=C3)OCC=C

InChI

InChI=1S/C23H27N3O5/c1-4-12-30-17-10-8-16(9-11-17)14-26(3)15-18-20(22(27)29-5-2)21(25-23(28)24-18)19-7-6-13-31-19/h4,6-11,13,21H,1,5,12,14-15H2,2-3H3,(H2,24,25,28)/p+1/t21-/m1/s1