CAS RN: 61035-05-0
CAS Name: 2-(1-piperidinyl)-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-(1-piperidyl)benzo[h]chromen-4-one
IUPAC Name: 2-piperidin-1-ylbenzo[h]chromen-4-one
SYSTEMATIC NAME: 2-piperidin-1-ylbenzo[h]chromen-4-one
MOLECULAR FORMULA: C18H17NO2
MOLECULAR WEIGHT: 279.33308
SMILES: C1CCN(CC1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Structure:
CAS RN: 61035-04-9
CAS Name: 2-(1-pyrrolidinyl)-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-pyrrolidin-1-ylbenzo[h]chromen-4-one
IUPAC Name: 2-pyrrolidin-1-ylbenzo[h]chromen-4-one
SYSTEMATIC NAME: 2-pyrrolidin-1-ylbenzo[h]chromen-4-one
MOLECULAR FORMULA: C17H15NO2
MOLECULAR WEIGHT: 265.3065
SMILES: C1CCN(C1)C2=CC(=O)C3=C(O2)C4=CC=CC=C4C=C3
Structure:
CAS RN: 61035-03-8
CAS Name: 2-(diethylamino)-4-benzo[h][1]benzopyranone
OPENEYE Name: 2-(diethylamino)benzo[h]chromen-4-one
IUPAC Name: 2-(diethylamino)benzo[h]chromen-4-one
SYSTEMATIC NAME: 2-(diethylamino)benzo[h]chromen-4-one
MOLECULAR FORMULA: C17H17NO2
MOLECULAR WEIGHT: 267.32238
SMILES: CCN(CC)C1=CC(=O)C2=C(O1)C3=CC=CC=C3C=C2
Structure:
CAS RN: 61033-79-2
CAS Name: 2-octyl-4,5-dihydro-1H-imidazole hydrochloride
OPENEYE Name: 2-octyl-4,5-dihydro-1H-imidazole hydrochloride
IUPAC Name: 2-octyl-4,5-dihydro-1H-imidazole hydrochloride
SYSTEMATIC NAME: 2-octyl-4,5-dihydro-1H-imidazole hydrochloride
MOLECULAR FORMULA: C11H23ClN2
MOLECULAR WEIGHT: 218.76672
SMILES: CCCCCCCCC1=NCCN1.Cl
Structure:
CAS RN: 61024-28-0
CAS Name: 2-[4-[(4-chlorophenyl)-oxomethyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
OPENEYE Name: 2-[4-(4-chlorobenzoyl)-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
IUPAC Name: 2-[4-(4-chlorobenzoyl)-2,6-dimethylphenoxy]-2-methylpropanoic acid
SYSTEMATIC NAME: 2-[4-(4-chlorophenyl)carbonyl-2,6-dimethyl-phenoxy]-2-methyl-propanoic acid
MOLECULAR FORMULA: C19H19ClO4
MOLECULAR WEIGHT: 346.80476
SMILES: CC1=CC(=CC(=C1OC(C)(C)C(=O)O)C)C(=O)C2=CC=C(C=C2)Cl
Structure:
CAS RN: 61022-35-3
CAS Name: 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine hydrochloride
OPENEYE Name: 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine hydrochloride
IUPAC Name: 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-[4-[4-[2-(aminomethyl)phenyl]butyl]phenyl]ethanamine hydrochloride
MOLECULAR FORMULA: C19H27ClN2
MOLECULAR WEIGHT: 318.88408
SMILES: C1=CC=C(C(=C1)CCCCC2=CC=C(C=C2)CCN)CN.Cl
Structure:
CAS RN: 61015-81-4
CAS Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-1-piperazin-1-iumyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2O3S2
MOLECULAR WEIGHT: 491.49462
SMILES: CS(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CC[N+](CC4)(CCO)[O-].Cl.Cl
Structure:
CAS RN: 61015-80-3
CAS Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-1-piperazin-1-iumyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxido-piperazin-1-ium-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidopiperazin-1-ium-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-oxidanidyl-piperazin-1-ium-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C20H25Cl3N2O2S
MOLECULAR WEIGHT: 463.8487
SMILES: C1C[N+](CCN1C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)(CCO)[O-].Cl.Cl
Structure:
CAS RN: 61015-59-6
CAS Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]-2-propanol; methanesulfonic acid
OPENEYE Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-2-ol; methanesulfonic acid
IUPAC Name: 1-[4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-2-ol; methanesulfonic acid
SYSTEMATIC NAME: 1-[4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]propan-2-ol; methanesulfonic acid
MOLECULAR FORMULA: C23H33ClN2O7S3
MOLECULAR WEIGHT: 581.16532
SMILES: CC(CN1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl)O.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 61015-57-4
CAS Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanol dihydrochloride
OPENEYE Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol dihydrochloride
IUPAC Name: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol dihydrochloride
SYSTEMATIC NAME: 2-[4-(3-methylsulfinyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol dihydrochloride
MOLECULAR FORMULA: C21H28Cl2N2O2S2
MOLECULAR WEIGHT: 475.49522
SMILES: CS(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO.Cl.Cl
Structure:
CAS RN: 61015-56-3
CAS Name: methanesulfonic acid; 2-[4-[3-(methylthio)-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-piperazinyl]ethanol
OPENEYE Name: methanesulfonic acid; 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
IUPAC Name: methanesulfonic acid; 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: methanesulfonic acid; 2-[4-(3-methylsulfanyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C23H34N2O7S4
MOLECULAR WEIGHT: 578.78526
SMILES: CSC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 61015-54-1
CAS Name: methanesulfonic acid; 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)-1-piperazinyl]ethanol
OPENEYE Name: methanesulfonic acid; 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
IUPAC Name: methanesulfonic acid; 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
SYSTEMATIC NAME: methanesulfonic acid; 2-[4-(3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazin-1-yl]ethanol
MOLECULAR FORMULA: C23H34N2O8S3
MOLECULAR WEIGHT: 562.71966
SMILES: COC1=CC2=C(C=C1)SC3=CC=CC=C3CC2N4CCN(CC4)CCO.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
CAS RN: 61015-45-0
CAS Name: 3-[4-(2-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanoic acid ethyl ester iodide
OPENEYE Name: ethyl 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide
IUPAC Name: ethyl 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanoate iodide
SYSTEMATIC NAME: ethyl 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide
MOLECULAR FORMULA: C16H24ClIN2O2
MOLECULAR WEIGHT: 438.73143
SMILES: CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2Cl)C.[I-]
Structure:
CAS RN: 61015-44-9
CAS Name: 3-[4-(2-fluorophenyl)-1-methyl-1-piperazin-1-iumyl]propanoic acid ethyl ester iodide
OPENEYE Name: ethyl 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide
IUPAC Name: ethyl 3-[4-(2-fluorophenyl)-1-methylpiperazin-1-ium-1-yl]propanoate iodide
SYSTEMATIC NAME: ethyl 3-[4-(2-fluorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanoate iodide
MOLECULAR FORMULA: C16H24FIN2O2
MOLECULAR WEIGHT: 422.276833
SMILES: CCOC(=O)CC[N+]1(CCN(CC1)C2=CC=CC=C2F)C.[I-]
Structure:
CAS RN: 61015-43-8
CAS Name: 3-[4-(3-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanamide iodide
OPENEYE Name: 3-[4-(3-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanamide iodide
IUPAC Name: 3-[4-(3-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanamide iodide
SYSTEMATIC NAME: 3-[4-(3-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanamide iodide
MOLECULAR FORMULA: C14H21ClIN3O
MOLECULAR WEIGHT: 409.69351
SMILES: C[N+]1(CCN(CC1)C2=CC(=CC=C2)Cl)CCC(=O)N.[I-]
Structure:
CAS RN: 61015-42-7
CAS Name: 3-[1-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]propanamide iodide
OPENEYE Name: 3-[1-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]propanamide iodide
IUPAC Name: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
MOLECULAR FORMULA: C15H24IN3O
MOLECULAR WEIGHT: 389.27503
SMILES: CC1=CC=C(C=C1)N2CC[N+](CC2)(C)CCC(=O)N.[I-]
Structure:
CAS RN: 61015-41-6
CAS Name: 3-[1-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]propanamide iodide
OPENEYE Name: 3-[1-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propanamide iodide
IUPAC Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
MOLECULAR FORMULA: C15H24IN3O
MOLECULAR WEIGHT: 389.27503
SMILES: CC1=CC(=CC=C1)N2CC[N+](CC2)(C)CCC(=O)N.[I-]
Structure:
CAS RN: 61015-40-5
CAS Name: 3-[1-methyl-4-(2-methylphenyl)-1-piperazin-1-iumyl]propanamide iodide
OPENEYE Name: 3-[1-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]propanamide iodide
IUPAC Name: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanamide iodide
MOLECULAR FORMULA: C15H24IN3O
MOLECULAR WEIGHT: 389.27503
SMILES: CC1=CC=CC=C1N2CC[N+](CC2)(C)CCC(=O)N.[I-]
Structure:
CAS RN: 61015-38-1
CAS Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[1-methyl-4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C15H19F3IN3
MOLECULAR WEIGHT: 425.23114
SMILES: C[N+]1(CCN(CC1)C2=CC=CC(=C2)C(F)(F)F)CCC#N.[I-]
Structure:
CAS RN: 61015-37-0
CAS Name: 3-[4-(3-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[4-(3-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[4-(3-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[4-(3-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C14H19ClIN3
MOLECULAR WEIGHT: 391.67823
SMILES: C[N+]1(CCN(CC1)C2=CC(=CC=C2)Cl)CCC#N.[I-]
Structure:
CAS RN: 61015-36-9
CAS Name: 3-[4-(2-chlorophenyl)-1-methyl-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[4-(2-chlorophenyl)-1-methylpiperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[4-(2-chlorophenyl)-1-methyl-piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C14H19ClIN3
MOLECULAR WEIGHT: 391.67823
SMILES: C[N+]1(CCN(CC1)C2=CC=CC=C2Cl)CCC#N.[I-]
Structure:
CAS RN: 61015-34-7
CAS Name: 3-[1-methyl-4-(4-methylphenyl)-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[1-methyl-4-(p-tolyl)piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(4-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C15H22IN3
MOLECULAR WEIGHT: 371.25975
SMILES: CC1=CC=C(C=C1)N2CC[N+](CC2)(C)CCC#N.[I-]
Structure:
CAS RN: 61015-33-6
CAS Name: 3-[1-methyl-4-(3-methylphenyl)-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[1-methyl-4-(m-tolyl)piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(3-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C15H22IN3
MOLECULAR WEIGHT: 371.25975
SMILES: CC1=CC(=CC=C1)N2CC[N+](CC2)(C)CCC#N.[I-]
Structure:
CAS RN: 61015-32-5
CAS Name: 3-[1-methyl-4-(2-methylphenyl)-1-piperazin-1-iumyl]propanenitrile iodide
OPENEYE Name: 3-[1-methyl-4-(o-tolyl)piperazin-1-ium-1-yl]propanenitrile iodide
IUPAC Name: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
SYSTEMATIC NAME: 3-[1-methyl-4-(2-methylphenyl)piperazin-1-ium-1-yl]propanenitrile iodide
MOLECULAR FORMULA: C15H22IN3
MOLECULAR WEIGHT: 371.25975
SMILES: CC1=CC=CC=C1N2CC[N+](CC2)(C)CCC#N.[I-]
Structure:
CAS RN: 61015-31-4
CAS Name: 3-(1-methyl-4-phenyl-1-piperazin-1-iumyl)propanenitrile iodide
OPENEYE Name: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propanenitrile iodide
IUPAC Name: 3-(1-methyl-4-phenylpiperazin-1-ium-1-yl)propanenitrile iodide
SYSTEMATIC NAME: 3-(1-methyl-4-phenyl-piperazin-1-ium-1-yl)propanenitrile iodide
MOLECULAR FORMULA: C14H20IN3
MOLECULAR WEIGHT: 357.23317
SMILES: C[N+]1(CCN(CC1)C2=CC=CC=C2)CCC#N.[I-]
Structure:
CAS RN: 61015-01-8
CAS Name: 1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
OPENEYE Name: 1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
IUPAC Name: 1-tert-butyl-4-(3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
SYSTEMATIC NAME: 1-tert-butyl-4-(3-chloranyl-5,6-dihydrobenzo[b][1]benzothiepin-5-yl)piperazine; methanesulfonic acid
MOLECULAR FORMULA: C24H35ClN2O6S3
MOLECULAR WEIGHT: 579.1925
SMILES: CC(C)(C)N1CCN(CC1)C2CC3=CC=CC=C3SC4=C2C=C(C=C4)Cl.CS(=O)(=O)O.CS(=O)(=O)O
Structure:
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