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

Systemtic Name: [(4R)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [(4R)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(2-ethylanilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [(4R)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylammonium IUPAC Name: [(4R)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(2-ethylanilino)-2-oxoethyl]-methylazanium Traditional Name: [(4R)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[2-(2-ethylanilino)-2-keto-ethyl]-methyl-ammonium Formula: C21H31N4O4+ MolecularWeight: 403.49524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC(=O)NC2=CC=CC=C2CC)C(=O)OCC

Isomeric SMILES

CC[C@@H]1C(=C(NC(=O)N1)C[NH+](C)CC(=O)NC2=CC=CC=C2CC)C(=O)OCC

InChI

InChI=1S/C21H30N4O4/c1-5-14-10-8-9-11-16(14)22-18(26)13-25(4)12-17-19(20(27)29-7-3)15(6-2)23-21(28)24-17/h8-11,15H,5-7,12-13H2,1-4H3,(H,22,26)(H2,23,24,28)/p+1/t15-/m1/s1