CAS RN: 120465-66-9
CAS Name: 7-butyl-9,9-dimethyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane
OPENEYE Name: 7-butyl-9,9-dimethyl-3-(2,4,6-triisopropylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane
IUPAC Name: 7-butyl-9,9-dimethyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 7-butyl-9,9-dimethyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfonyl-3,7-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C28H48N2O2S
MOLECULAR WEIGHT: 476.75792
SMILES: CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=C(C=C3C(C)C)C(C)C)C(C)C
Structure:
CAS RN: 120465-65-8
CAS Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
OPENEYE Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 7-butyl-3-(2,5-dimethylphenyl)sulfonyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C54H86N4O22S2
MOLECULAR WEIGHT: 1207.40424
SMILES: CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)C)C.CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)C3=C(C=CC(=C3)C)C.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 120465-62-5
CAS Name: 7-butyl-9,9-dimethyl-3-(phenylmethyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane
OPENEYE Name: 3-benzylsulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
IUPAC Name: 3-benzylsulfonyl-7-butyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
SYSTEMATIC NAME: 7-butyl-9,9-dimethyl-3-(phenylmethyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C20H32N2O2S
MOLECULAR WEIGHT: 364.54528
SMILES: CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)CC3=CC=CC=C3
Structure:
CAS RN: 120465-61-4
CAS Name: 7-butyl-9,9-dimethyl-3-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
OPENEYE Name: 7-butyl-9,9-dimethyl-3-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
IUPAC Name: 7-butyl-9,9-dimethyl-3-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane; (2R,3R)-2,3-dihydroxybutanedioic acid
SYSTEMATIC NAME: (2R,3R)-2,3-bis(oxidanyl)butanedioic acid; 7-butyl-9,9-dimethyl-3-(2-phenylethylsulfonyl)-3,7-diazabicyclo[3.3.1]nonane
MOLECULAR FORMULA: C25H40N2O8S
MOLECULAR WEIGHT: 528.6587
SMILES: CCCCN1CC2CN(CC(C1)C2(C)C)S(=O)(=O)CCC3=CC=CC=C3.[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
Structure:
CAS RN: 120447-58-7
CAS Name: 3-(4-phenyl-1-piperidinyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol hydrochloride
OPENEYE Name: 3-(4-phenyl-1-piperidyl)decalin-2-ol hydrochloride
IUPAC Name: 3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol hydrochloride
SYSTEMATIC NAME: 3-(4-phenylpiperidin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ol hydrochloride
MOLECULAR FORMULA: C21H32ClNO
MOLECULAR WEIGHT: 349.93788
SMILES: C1CCC2CC(C(CC2C1)N3CCC(CC3)C4=CC=CC=C4)O.Cl
Structure:
CAS RN: 120447-54-3
CAS Name: (1S,2S,4R)-4-tert-butyl-2-(4-phenyl-1-piperidinyl)-1-cyclohexanol hydrochloride
OPENEYE Name: (1S,2S,4R)-4-tert-butyl-2-(4-phenyl-1-piperidyl)cyclohexanol hydrochloride
IUPAC Name: (1S,2S,4R)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride
SYSTEMATIC NAME: (1S,2S,4R)-4-tert-butyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol hydrochloride
MOLECULAR FORMULA: C21H34ClNO
MOLECULAR WEIGHT: 351.95376
SMILES: CC(C)(C)[C@@H]1CC[C@@H]([C@H](C1)N2CCC(CC2)C3=CC=CC=C3)O.Cl
Structure:
CAS RN: 120447-50-9
CAS Name: 1-(4-phenyl-1-piperidinyl)-2-butanol hydrochloride
OPENEYE Name: 1-(4-phenyl-1-piperidyl)butan-2-ol hydrochloride
IUPAC Name: 1-(4-phenylpiperidin-1-yl)butan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(4-phenylpiperidin-1-yl)butan-2-ol hydrochloride
MOLECULAR FORMULA: C15H24ClNO
MOLECULAR WEIGHT: 269.81016
SMILES: CCC(CN1CCC(CC1)C2=CC=CC=C2)O.Cl
Structure:
CAS RN: 120447-37-2
CAS Name: N-[(6S,7S)-6-hydroxy-7-(4-phenyl-1-piperidinyl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
OPENEYE Name: N-[(2S,3S)-2-hydroxy-3-(4-phenyl-1-piperidyl)tetralin-5-yl]acetamide
IUPAC Name: N-[(6S,7S)-6-hydroxy-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]acetamide
SYSTEMATIC NAME: N-[(6S,7S)-6-oxidanyl-7-(4-phenylpiperidin-1-yl)-5,6,7,8-tetrahydronaphthalen-1-yl]ethanamide
MOLECULAR FORMULA: C23H28N2O2
MOLECULAR WEIGHT: 364.48062
SMILES: CC(=O)NC1=CC=CC2=C1C[C@@H]([C@H](C2)O)N3CCC(CC3)C4=CC=CC=C4
Structure:
CAS RN: 120447-28-1
CAS Name: (1S,2R)-1-methyl-2-(4-phenyl-1-piperidinyl)-1-cyclohexanol
OPENEYE Name: (1S,2R)-1-methyl-2-(4-phenyl-1-piperidyl)cyclohexanol
IUPAC Name: (1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SYSTEMATIC NAME: (1S,2R)-1-methyl-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: C[C@@]1(CCCC[C@H]1N2CCC(CC2)C3=CC=CC=C3)O
Structure:
CAS RN: 120446-99-3
CAS Name: (1R,2R)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-cyclohexanol
OPENEYE Name: (1R,2R)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexanol
IUPAC Name: (1R,2R)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
SYSTEMATIC NAME: (1R,2R)-2-[4-(4-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: C1CC[C@H]([C@@H](C1)N2CCC(=CC2)C3=CC=C(C=C3)Cl)O
Structure:
CAS RN: 120446-83-5
CAS Name: (1R,2R)-2-[4-(phenylmethyl)-1-piperidinyl]-1-cyclohexanol
OPENEYE Name: (1R,2R)-2-(4-benzyl-1-piperidyl)cyclohexanol
IUPAC Name: (1R,2R)-2-(4-benzylpiperidin-1-yl)cyclohexan-1-ol
SYSTEMATIC NAME: (1R,2R)-2-[4-(phenylmethyl)piperidin-1-yl]cyclohexan-1-ol
MOLECULAR FORMULA: C18H27NO
MOLECULAR WEIGHT: 273.41308
SMILES: C1CC[C@H]([C@@H](C1)N2CCC(CC2)CC3=CC=CC=C3)O
Structure:
CAS RN: 120402-42-8
CAS Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide
OPENEYE Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide
IUPAC Name: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide
SYSTEMATIC NAME: 1,2,3,3-tetramethyl-4H-isoquinolin-2-ium iodide
MOLECULAR FORMULA: C13H18IN
MOLECULAR WEIGHT: 315.19319
SMILES: CC1=[N+](C(CC2=CC=CC=C12)(C)C)C.[I-]
Structure:
CAS RN: 120399-17-9
CAS Name: potassium 2-(2-nitro-1-imidazolyl)-N-oxidoacetamide
OPENEYE Name: potassium 2-(2-nitroimidazol-1-yl)-N-oxido-acetamide
IUPAC Name: potassium 2-(2-nitroimidazol-1-yl)-N-oxidoacetamide
SYSTEMATIC NAME: potassium 2-(2-nitroimidazol-1-yl)-N-oxidanidyl-ethanamide
MOLECULAR FORMULA: C5H5KN4O4
MOLECULAR WEIGHT: 224.2159
SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(=O)N[O-].[K+]
Structure:
CAS RN: 120388-37-6
CAS Name: 5-(butylthio)-5-pentyl-2-oxolanone
OPENEYE Name: 5-butylsulfanyl-5-pentyl-tetrahydrofuran-2-one
IUPAC Name: 5-butylsulfanyl-5-pentyloxolan-2-one
SYSTEMATIC NAME: 5-butylsulfanyl-5-pentyl-oxolan-2-one
MOLECULAR FORMULA: C13H24O2S
MOLECULAR WEIGHT: 244.39346
SMILES: CCCCCC1(CCC(=O)O1)SCCCC
Structure:
CAS RN: 120388-36-5
CAS Name: 3-[(butylthio)methyl]-5-pentyl-3H-furan-2-one
OPENEYE Name: 3-(butylsulfanylmethyl)-5-pentyl-3H-furan-2-one
IUPAC Name: 3-(butylsulfanylmethyl)-5-pentyl-3H-furan-2-one
SYSTEMATIC NAME: 3-(butylsulfanylmethyl)-5-pentyl-3H-furan-2-one
MOLECULAR FORMULA: C14H24O2S
MOLECULAR WEIGHT: 256.40416
SMILES: CCCCCC1=CC(C(=O)O1)CSCCCC
Structure:
CAS RN: 120388-35-4
CAS Name: 5-(butylthio)-5-propyl-2-oxolanone
OPENEYE Name: 5-butylsulfanyl-5-propyl-tetrahydrofuran-2-one
IUPAC Name: 5-butylsulfanyl-5-propyloxolan-2-one
SYSTEMATIC NAME: 5-butylsulfanyl-5-propyl-oxolan-2-one
MOLECULAR FORMULA: C11H20O2S
MOLECULAR WEIGHT: 216.3403
SMILES: CCCCSC1(CCC(=O)O1)CCC
Structure:
CAS RN: 120388-34-3
CAS Name: 3-[(butylthio)methyl]-5-propyl-3H-furan-2-one
OPENEYE Name: 3-(butylsulfanylmethyl)-5-propyl-3H-furan-2-one
IUPAC Name: 3-(butylsulfanylmethyl)-5-propyl-3H-furan-2-one
SYSTEMATIC NAME: 3-(butylsulfanylmethyl)-5-propyl-3H-furan-2-one
MOLECULAR FORMULA: C12H20O2S
MOLECULAR WEIGHT: 228.351
SMILES: CCCCSCC1C=C(OC1=O)CCC
Structure:
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