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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethoxyphenyl)methyl]-methyl-ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethoxyphenyl)methyl]-methylammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(4-ethoxyphenyl)methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-(4-ethoxybenzyl)-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=CC=C(C=C2)OCC)C(=O)OCC

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O4/c1-5-16-18(19(24)27-7-3)17(22-20(25)21-16)13-23(4)12-14-8-10-15(11-9-14)26-6-2/h8-11,16H,5-7,12-13H2,1-4H3,(H2,21,22,25)/p+1/t16-/m0/s1