CAS RN: 51987-06-5
CAS Name: 1-ethenyl-1-methylimidazol-1-ium; methyl sulfate
OPENEYE Name: methyl sulfate; 1-methyl-1-vinyl-imidazol-1-ium
IUPAC Name: 1-ethenyl-1-methylimidazol-1-ium; methyl sulfate
SYSTEMATIC NAME: 1-ethenyl-1-methyl-imidazol-1-ium; methyl sulfate
MOLECULAR FORMULA: C7H12N2O4S
MOLECULAR WEIGHT: 220.24618
SMILES: C[N+]1(C=CN=C1)C=C.COS(=O)(=O)[O-]
Structure:
CAS RN: 5832-54-2
CAS Name: 2-methylene-1-azabicyclo[2.2.2]octan-3-one hydrochloride
OPENEYE Name: 2-methylenequinuclidin-3-one hydrochloride
IUPAC Name: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one hydrochloride
SYSTEMATIC NAME: 2-methylidene-1-azabicyclo[2.2.2]octan-3-one hydrochloride
MOLECULAR FORMULA: C8H12ClNO
MOLECULAR WEIGHT: 173.63998
SMILES: C=C1C(=O)C2CCN1CC2.Cl
Structure:
CAS RN: 6406-21-9
CAS Name: 2-amino-3,5-dichlorobenzenesulfonic acid
OPENEYE Name: 2-amino-3,5-dichloro-benzenesulfonic acid
IUPAC Name: 2-amino-3,5-dichlorobenzenesulfonic acid
SYSTEMATIC NAME: 2-azanyl-3,5-bis(chloranyl)benzenesulfonic acid
MOLECULAR FORMULA: C6H5Cl2NO3S
MOLECULAR WEIGHT: 242.0798
SMILES: C1=C(C=C(C(=C1Cl)N)S(=O)(=O)O)Cl
Structure:
CAS RN: 915922-05-3
CAS Name: 2-(1-methyl-2-imidazolyl)benzoic acid
OPENEYE Name: 2-(1-methylimidazol-2-yl)benzoic acid
IUPAC Name: 2-(1-methylimidazol-2-yl)benzoic acid
SYSTEMATIC NAME: 2-(1-methylimidazol-2-yl)benzoic acid
MOLECULAR FORMULA: C11H10N2O2
MOLECULAR WEIGHT: 202.2093
SMILES: CN1C=CN=C1C2=CC=CC=C2C(=O)O
Structure:
CAS RN: 6247-15-0
CAS Name: 2,3-dihydro-1H-benzo[f]isoindole
OPENEYE Name: 2,3-dihydro-1H-benzo[f]isoindole
IUPAC Name: 2,3-dihydro-1H-benzo[f]isoindole
SYSTEMATIC NAME: 2,3-dihydro-1H-benzo[f]isoindole
MOLECULAR FORMULA: C12H11N
MOLECULAR WEIGHT: 169.22244
SMILES: C1C2=CC3=CC=CC=C3C=C2CN1
Structure:
CAS RN: 219599-99-2
CAS Name: 2-tert-butyl-4-(1-piperazinyl)-6-(trifluoromethyl)pyrimidine
OPENEYE Name: 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
IUPAC Name: 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
SYSTEMATIC NAME: 2-tert-butyl-4-piperazin-1-yl-6-(trifluoromethyl)pyrimidine
MOLECULAR FORMULA: C13H19F3N4
MOLECULAR WEIGHT: 288.31197
SMILES: CC(C)(C)C1=NC(=CC(=N1)N2CCNCC2)C(F)(F)F
Structure:
CAS RN: 104459-70-3
CAS Name: 4-(dimethylamino)butanal
OPENEYE Name: 4-(dimethylamino)butanal
IUPAC Name: 4-(dimethylamino)butanal
SYSTEMATIC NAME: 4-(dimethylamino)butanal
MOLECULAR FORMULA: C6H13NO
MOLECULAR WEIGHT: 115.17352
SMILES: CN(C)CCCC=O
Structure:
CAS RN: 209592-66-5
CAS Name: 2-(2,4-difluorophenyl)thiophene
OPENEYE Name: 2-(2,4-difluorophenyl)thiophene
IUPAC Name: 2-(2,4-difluorophenyl)thiophene
SYSTEMATIC NAME: 2-[2,4-bis(fluoranyl)phenyl]thiophene
MOLECULAR FORMULA: C10H6F2S
MOLECULAR WEIGHT: 196.216446
SMILES: C1=CSC(=C1)C2=C(C=C(C=C2)F)F
Structure:
CAS RN: 35171-55-2
CAS Name: pentyl(triphenyl)phosphonium iodide
OPENEYE Name: pentyl(triphenyl)phosphonium iodide
IUPAC Name: pentyl(triphenyl)phosphanium iodide
SYSTEMATIC NAME: pentyl(triphenyl)phosphanium iodide
MOLECULAR FORMULA: C23H26IP
MOLECULAR WEIGHT: 460.330771
SMILES: CCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3.[I-]
Structure:
CAS RN: 19081-66-4
CAS Name: 2-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-one
OPENEYE Name: 2-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-one
IUPAC Name: 2-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-one
SYSTEMATIC NAME: 2-(4-chlorophenyl)-5-phenyl-1H-1,2,4-triazol-3-one
MOLECULAR FORMULA: C14H10ClN3O
MOLECULAR WEIGHT: 271.7017
SMILES: C1=CC=C(C=C1)C2=NC(=O)N(N2)C3=CC=C(C=C3)Cl
Structure:
CAS RN: 10242-02-1
CAS Name: 5-methyl-1H-indole-3-carboxylic acid
OPENEYE Name: 5-methyl-1H-indole-3-carboxylic acid
IUPAC Name: 5-methyl-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 5-methyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=CC2=C(C=C1)NC=C2C(=O)O
Structure:
CAS RN: 209920-43-4
CAS Name: 6-methyl-1H-indole-3-carboxylic acid
OPENEYE Name: 6-methyl-1H-indole-3-carboxylic acid
IUPAC Name: 6-methyl-1H-indole-3-carboxylic acid
SYSTEMATIC NAME: 6-methyl-1H-indole-3-carboxylic acid
MOLECULAR FORMULA: C10H9NO2
MOLECULAR WEIGHT: 175.18396
SMILES: CC1=CC2=C(C=C1)C(=CN2)C(=O)O
Structure:
CAS RN: 225385-03-5
CAS Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine
OPENEYE Name: 6-bromo-4-chloro-thieno[3,2-d]pyrimidine
IUPAC Name: 6-bromo-4-chlorothieno[3,2-d]pyrimidine
SYSTEMATIC NAME: 6-bromanyl-4-chloranyl-thieno[3,2-d]pyrimidine
MOLECULAR FORMULA: C6H2BrClN2S
MOLECULAR WEIGHT: 249.51548
SMILES: C1=C(SC2=C1N=CN=C2Cl)Br
Structure:
CAS RN: 762263-64-9
CAS Name: 2-pyrazinylboronic acid
OPENEYE Name: pyrazin-2-ylboronic acid
IUPAC Name: pyrazin-2-ylboronic acid
SYSTEMATIC NAME: pyrazin-2-ylboronic acid
MOLECULAR FORMULA: C4H5BN2O2
MOLECULAR WEIGHT: 123.9057
SMILES: B(C1=NC=CN=C1)(O)O
Structure:
CAS RN: 163209-96-9
CAS Name: 4-(4-bromophenyl)-4-hydroxy-1-piperidinecarboxylic acid tert-butyl ester
OPENEYE Name: tert-butyl 4-(4-bromophenyl)-4-hydroxy-piperidine-1-carboxylate
IUPAC Name: tert-butyl 4-(4-bromophenyl)-4-hydroxypiperidine-1-carboxylate
SYSTEMATIC NAME: tert-butyl 4-(4-bromophenyl)-4-oxidanyl-piperidine-1-carboxylate
MOLECULAR FORMULA: C16H22BrNO3
MOLECULAR WEIGHT: 356.25478
SMILES: CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)Br)O
Structure:
CAS RN: 59290-85-6
CAS Name: 3-nitro-2-pyridinecarboxylic acid
OPENEYE Name: 3-nitropyridine-2-carboxylic acid
IUPAC Name: 3-nitropyridine-2-carboxylic acid
SYSTEMATIC NAME: 3-nitropyridine-2-carboxylic acid
MOLECULAR FORMULA: C6H4N2O4
MOLECULAR WEIGHT: 168.10696
SMILES: C1=CC(=C(N=C1)C(=O)O)[N+](=O)[O-]
Structure:
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