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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methyl-phenyl)methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methylphenyl)methyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(2-methoxy-5-methylphenyl)methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(2-methoxy-5-methyl-benzyl)-methyl-ammonium Formula: C20H30N3O4+ MolecularWeight: 376.4699

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-6-15-18(19(24)27-7-2)16(22-20(25)21-15)12-23(4)11-14-10-13(3)8-9-17(14)26-5/h8-10,15H,6-7,11-12H2,1-5H3,(H2,21,22,25)/p+1/t15-/m0/s1