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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethylphenyl)methyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethylphenyl)methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethylphenyl)methyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethylphenyl)methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(4-ethylbenzyl)-methyl-ammonium Formula: C22H28N3O4+ MolecularWeight: 398.47542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C[NH+](C)CC2=C(C(NC(=O)N2)C3=CC=CO3)C(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)C[NH+](C)CC2=C([C@H](NC(=O)N2)C3=CC=CO3)C(=O)OCC

InChI

InChI=1S/C22H27N3O4/c1-4-15-8-10-16(11-9-15)13-25(3)14-17-19(21(26)28-5-2)20(24-22(27)23-17)18-7-6-12-29-18/h6-12,20H,4-5,13-14H2,1-3H3,(H2,23,24,27)/p+1/t20-/m1/s1