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

Systemtic Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-[(4-methoxyphenyl)amino]-2-oxidanylidene-ethyl]azanium Openeye Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxo-ethyl]ammonium CAS Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]ammonium IUPAC Name: [(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium Traditional Name: [(4S)-5-carbethoxy-4-ethyl-2-keto-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-keto-2-(p-anisidino)ethyl]ammonium Formula: C21H31N4O5+ MolecularWeight: 419.49464

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](CC)CC(=O)NC2=CC=C(C=C2)OC)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](CC)CC(=O)NC2=CC=C(C=C2)OC)C(=O)OCC

InChI

InChI=1S/C21H30N4O5/c1-5-16-19(20(27)30-7-3)17(24-21(28)23-16)12-25(6-2)13-18(26)22-14-8-10-15(29-4)11-9-14/h8-11,16H,5-7,12-13H2,1-4H3,(H,22,26)(H2,23,24,28)/p+1/t16-/m0/s1