CAS RN: 18933-33-0
CAS Name: (3-cyano-2-hydroxypropyl)-trimethylammonium
OPENEYE Name: (3-cyano-2-hydroxy-propyl)-trimethyl-ammonium
IUPAC Name: (3-cyano-2-hydroxypropyl)-trimethylazanium
SYSTEMATIC NAME: (3-cyano-2-oxidanyl-propyl)-trimethyl-azanium
MOLECULAR FORMULA: C7H15N2O+
MOLECULAR WEIGHT: 143.2068
SMILES: C[N+](C)(C)CC(CC#N)O
Structure:
CAS RN: 18933-33-0
CAS Name: (3-cyano-2-hydroxypropyl)-trimethylammonium chloride
OPENEYE Name: (3-cyano-2-hydroxy-propyl)-trimethyl-ammonium chloride
IUPAC Name: (3-cyano-2-hydroxypropyl)-trimethylazanium chloride
SYSTEMATIC NAME: (3-cyano-2-oxidanyl-propyl)-trimethyl-azanium chloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: C[N+](C)(C)CC(CC#N)O.[Cl-]
Structure:
CAS RN: 5238-52-8
CAS Name: (3-cyano-2-hydroxypropyl)-trimethylammonium chloride
OPENEYE Name: (3-cyano-2-hydroxy-propyl)-trimethyl-ammonium chloride
IUPAC Name: (3-cyano-2-hydroxypropyl)-trimethylazanium chloride
SYSTEMATIC NAME: (3-cyano-2-oxidanyl-propyl)-trimethyl-azanium chloride
MOLECULAR FORMULA: C7H15ClN2O
MOLECULAR WEIGHT: 178.6598
SMILES: C[N+](C)(C)CC(CC#N)O.[Cl-]
Structure:
CAS RN: 1531-95-9
CAS Name: 4-(1-piperidinyl)-1-cyclohexanol
OPENEYE Name: 4-(1-piperidyl)cyclohexanol
IUPAC Name: 4-piperidin-1-ylcyclohexan-1-ol
SYSTEMATIC NAME: 4-piperidin-1-ylcyclohexan-1-ol
MOLECULAR FORMULA: C11H21NO
MOLECULAR WEIGHT: 183.29054
SMILES: C1CCN(CC1)C2CCC(CC2)O
Structure:
CAS RN: 5237-10-5
CAS Name: 4-(1-piperidinyl)-1-cyclohexanol hydrochloride
OPENEYE Name: 4-(1-piperidyl)cyclohexanol hydrochloride
IUPAC Name: 4-piperidin-1-ylcyclohexan-1-ol hydrochloride
SYSTEMATIC NAME: 4-piperidin-1-ylcyclohexan-1-ol hydrochloride
MOLECULAR FORMULA: C11H22ClNO
MOLECULAR WEIGHT: 219.75148
SMILES: C1CCN(CC1)C2CCC(CC2)O.Cl
Structure:
CAS RN: 5234-37-7
CAS Name: (4S)-4-amino-5-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
OPENEYE Name: (4S)-4-amino-5-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxo-pentanoic acid
IUPAC Name: (4S)-4-amino-5-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxopentanoic acid
SYSTEMATIC NAME: (4S)-4-azanyl-5-[2-(5-methoxy-1H-indol-3-yl)ethylamino]-5-oxidanylidene-pentanoic acid
MOLECULAR FORMULA: C16H21N3O4
MOLECULAR WEIGHT: 319.35564
SMILES: COC1=CC2=C(C=C1)NC=C2CCNC(=O)[C@H](CCC(=O)O)N
Structure:
CAS RN: 5229-89-0
CAS Name: 8-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-[2-(1,3-benzodioxol-5-yl)ethyl]-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C16H20N2O4
MOLECULAR WEIGHT: 304.341
SMILES: C1CN(CCC12CNC(=O)O2)CCC3=CC4=C(C=C3)OCO4
Structure:
CAS RN: 5229-85-6
CAS Name: 8-(2-hydroxy-3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
OPENEYE Name: 8-(2-hydroxy-3-phenyl-propyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
IUPAC Name: 8-(2-hydroxy-3-phenylpropyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
SYSTEMATIC NAME: 8-(2-oxidanyl-3-phenyl-propyl)-4-oxa-2,8-diazaspiro[4.5]decan-3-one
MOLECULAR FORMULA: C16H22N2O3
MOLECULAR WEIGHT: 290.35748
SMILES: C1CN(CCC12CNC(=O)O2)CC(CC3=CC=CC=C3)O
Structure:
CAS RN: 5221-22-7
CAS Name: 3,3-diethylpiperidine-2,6-dione
OPENEYE Name: 3,3-diethylpiperidine-2,6-dione
IUPAC Name: 3,3-diethylpiperidine-2,6-dione
SYSTEMATIC NAME: 3,3-diethylpiperidine-2,6-dione
MOLECULAR FORMULA: C9H15NO2
MOLECULAR WEIGHT: 169.2209
SMILES: CCC1(CCC(=O)NC1=O)CC
Structure:
CAS RN: 5220-30-4
CAS Name: N-(2-benzoyl-4-chlorophenyl)-2-(1-piperidinyl)acetamide
OPENEYE Name: N-(2-benzoyl-4-chloro-phenyl)-2-(1-piperidyl)acetamide
IUPAC Name: N-(2-benzoyl-4-chlorophenyl)-2-piperidin-1-ylacetamide
SYSTEMATIC NAME: N-[4-chloranyl-2-(phenylcarbonyl)phenyl]-2-piperidin-1-yl-ethanamide
MOLECULAR FORMULA: C20H21ClN2O2
MOLECULAR WEIGHT: 356.84594
SMILES: C1CCN(CC1)CC(=O)NC2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3
Structure:
CAS RN: 5219-64-7
CAS Name: 2-methyl-2-(phenylthio)propanoic acid
OPENEYE Name: 2-methyl-2-phenylsulfanyl-propanoic acid
IUPAC Name: 2-methyl-2-phenylsulfanylpropanoic acid
SYSTEMATIC NAME: 2-methyl-2-phenylsulfanyl-propanoic acid
MOLECULAR FORMULA: C10H12O2S
MOLECULAR WEIGHT: 196.26608
SMILES: CC(C)(C(=O)O)SC1=CC=CC=C1
Structure:
CAS RN: 5214-25-5
CAS Name: N,N-dimethyl-2-pyrazinamine hydrochloride
OPENEYE Name: N,N-dimethylpyrazin-2-amine hydrochloride
IUPAC Name: N,N-dimethylpyrazin-2-amine hydrochloride
SYSTEMATIC NAME: N,N-dimethylpyrazin-2-amine hydrochloride
MOLECULAR FORMULA: C6H10ClN3
MOLECULAR WEIGHT: 159.6167
SMILES: CN(C)C1=NC=CN=C1.Cl
Structure:
CAS RN: 5213-47-8
CAS Name: 4,5-dimethyl-2-nitro-1H-imidazole
OPENEYE Name: 4,5-dimethyl-2-nitro-1H-imidazole
IUPAC Name: 4,5-dimethyl-2-nitro-1H-imidazole
SYSTEMATIC NAME: 4,5-dimethyl-2-nitro-1H-imidazole
MOLECULAR FORMULA: C5H7N3O2
MOLECULAR WEIGHT: 141.12798
SMILES: CC1=C(N=C(N1)[N+](=O)[O-])C
Structure:
CAS RN: 5205-73-2
CAS Name: 4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
OPENEYE Name: 4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
IUPAC Name: 4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
SYSTEMATIC NAME: 4-(6-methoxy-2-phenyl-3,4-dihydronaphthalen-1-yl)pyridine
MOLECULAR FORMULA: C22H19NO
MOLECULAR WEIGHT: 313.39236
SMILES: COC1=CC2=C(C=C1)C(=C(CC2)C3=CC=CC=C3)C4=CC=NC=C4
Structure:
CAS RN: 5191-35-5
CAS Name: 1-diethoxyphosphoryl-2-ethoxyethane
OPENEYE Name: 1-diethoxyphosphoryl-2-ethoxy-ethane
IUPAC Name: 1-diethoxyphosphoryl-2-ethoxyethane
SYSTEMATIC NAME: 1-diethoxyphosphoryl-2-ethoxy-ethane
MOLECULAR FORMULA: C8H19O4P
MOLECULAR WEIGHT: 210.207821
SMILES: CCOCCP(=O)(OCC)OCC
Structure:
CAS RN: 5182-09-2
CAS Name: disodium 2-hydroxy-5-[4,5,6,7-tetrachloro-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-1-isobenzofuranyl]benzenesulfonate
OPENEYE Name: disodium 2-hydroxy-5-[4,5,6,7-tetrachloro-1-(4-hydroxy-3-sulfonato-phenyl)-3-oxo-isobenzofuran-1-yl]benzenesulfonate
IUPAC Name: disodium 2-hydroxy-5-[4,5,6,7-tetrachloro-1-(4-hydroxy-3-sulfonatophenyl)-3-oxo-2-benzofuran-1-yl]benzenesulfonate
SYSTEMATIC NAME: disodium 2-oxidanyl-5-[4,5,6,7-tetrakis(chloranyl)-3-oxidanylidene-1-(4-oxidanyl-3-sulfonato-phenyl)-2-benzofuran-1-yl]benzenesulfonate
MOLECULAR FORMULA: C20H8Cl4Na2O10S2
MOLECULAR WEIGHT: 660.19306
SMILES: C1=CC(=C(C=C1C2(C3=C(C(=C(C(=C3Cl)Cl)Cl)Cl)C(=O)O2)C4=CC(=C(C=C4)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]
Structure:
CAS RN: 5181-35-1
CAS Name: 2-(2-bromoethoxy)isoindole-1,3-dione
OPENEYE Name: 2-(2-bromoethoxy)isoindoline-1,3-dione
IUPAC Name: 2-(2-bromoethoxy)isoindole-1,3-dione
SYSTEMATIC NAME: 2-(2-bromoethyloxy)isoindole-1,3-dione
MOLECULAR FORMULA: C10H8BrNO3
MOLECULAR WEIGHT: 270.07942
SMILES: C1=CC=C2C(=C1)C(=O)N(C2=O)OCCBr
Structure:
CAS RN: 5178-52-9
CAS Name: 4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride
OPENEYE Name: 4-[2-(isopropylamino)ethyl]benzene-1,2-diol hydrochloride
IUPAC Name: 4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride
SYSTEMATIC NAME: 4-[2-(propan-2-ylamino)ethyl]benzene-1,2-diol hydrochloride
MOLECULAR FORMULA: C11H18ClNO2
MOLECULAR WEIGHT: 231.71912
SMILES: CC(C)NCCC1=CC(=C(C=C1)O)O.Cl
Structure:
CAS RN: 5167-31-7
CAS Name: 1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
OPENEYE Name: 1,3,5-triphenylhexahydropyrimidine-2,4,6-trione
IUPAC Name: 1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
SYSTEMATIC NAME: 1,3,5-triphenyl-1,3-diazinane-2,4,6-trione
MOLECULAR FORMULA: C22H16N2O3
MOLECULAR WEIGHT: 356.37404
SMILES: C1=CC=C(C=C1)C2C(=O)N(C(=O)N(C2=O)C3=CC=CC=C3)C4=CC=CC=C4
Structure:
CAS RN: 5166-71-2
CAS Name: 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one hydrochloride
OPENEYE Name: 2-[(dimethylamino)methyl]tetralin-1-one hydrochloride
IUPAC Name: 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one hydrochloride
SYSTEMATIC NAME: 2-[(dimethylamino)methyl]-3,4-dihydro-2H-naphthalen-1-one hydrochloride
MOLECULAR FORMULA: C13H18ClNO
MOLECULAR WEIGHT: 239.74112
SMILES: CN(C)CC1CCC2=CC=CC=C2C1=O.Cl
Structure:
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