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

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylmethyl-[[(4S)-5-ethoxycarbonyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-methyl-ammonium Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=CC=C2)C[NH+](C)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C24H27N3O5/c1-3-30-23(28)21-18(25-24(29)26-22(21)17-7-5-4-6-8-17)15-27(2)14-16-9-10-19-20(13-16)32-12-11-31-19/h4-10,13,22H,3,11-12,14-15H2,1-2H3,(H2,25,26,29)/p+1/t22-/m0/s1