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

Systemtic Name: (5-chloranyl-2-methoxy-phenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (5-chloro-2-methoxy-phenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (5-chloro-2-methoxyphenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (5-chloro-2-methoxyphenyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(5-chloro-2-methoxy-benzyl)-methyl-ammonium Formula: C19H27ClN3O4+ MolecularWeight: 396.88838

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=C(C=CC(=C2)Cl)OC)C(=O)OCC

InChI

InChI=1S/C19H26ClN3O4/c1-5-14-17(18(24)27-6-2)15(22-19(25)21-14)11-23(3)10-12-9-13(20)7-8-16(12)26-4/h7-9,14H,5-6,10-11H2,1-4H3,(H2,21,22,25)/p+1/t14-/m0/s1