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

Systemtic Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-azanium Openeye Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methyl-ammonium CAS Name: (3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-[[(4S)-5-ethoxycarbonyl-4-ethyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylammonium IUPAC Name: (3,5-dimethyl-1-phenylpyrazol-4-yl)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-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C23H32N5O3+ MolecularWeight: 426.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)C(=O)OCC

Isomeric SMILES

CC[C@H]1C(=C(NC(=O)N1)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C)C(=O)OCC

InChI

InChI=1S/C23H31N5O3/c1-6-19-21(22(29)31-7-2)20(25-23(30)24-19)14-27(5)13-18-15(3)26-28(16(18)4)17-11-9-8-10-12-17/h8-12,19H,6-7,13-14H2,1-5H3,(H2,24,25,30)/p+1/t19-/m0/s1