(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-[[(4S)-5-ethoxycarbonyl-4-methyl-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-methyl-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-methyl-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-methyl-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-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-methyl-3,4-dihydro-1H-pyrimidin-6-yl]methyl-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-methyl-ammonium Formula: C22H30N5O3+ MolecularWeight: 412.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)C[NH+](C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N5O3/c1-6-30-21(28)20-15(3)23-22(29)24-19(20)13-26(5)12-18-14(2)25-27(16(18)4)17-10-8-7-9-11-17/h7-11,15H,6,12-13H2,1-5H3,(H2,23,24,29)/p+1/t15-/m0/s1