CAS RN: 6631-26-1
CAS Name: 3-methyltriazolo[1,5-a]pyridine chloride
OPENEYE Name: 3-methyltriazolo[1,5-a]pyridine chloride
IUPAC Name: 3-methyltriazolo[1,5-a]pyridine chloride
SYSTEMATIC NAME: 3-methyl-[1,2,3]triazolo[1,5-a]pyridine chloride
MOLECULAR FORMULA: C7H7ClN3-
MOLECULAR WEIGHT: 168.60358
SMILES: CC1=C2C=CC=CN2N=N1.[Cl-]
Structure:
CAS RN: 21561-68-2
CAS Name: 2-benzoyl-1,3-diphenylpropane-1,3-dione; copper
OPENEYE Name: 2-benzoyl-1,3-diphenyl-propane-1,3-dione; copper
IUPAC Name: 2-benzoyl-1,3-diphenylpropane-1,3-dione; copper
SYSTEMATIC NAME: copper; 1,3-diphenyl-2-(phenylcarbonyl)propane-1,3-dione
MOLECULAR FORMULA: C44H32CuO6
MOLECULAR WEIGHT: 720.26728
SMILES: C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.C1=CC=C(C=C1)C(=O)C(C(=O)C2=CC=CC=C2)C(=O)C3=CC=CC=C3.[Cu]
Structure:
CAS RN: 15627-56-2
CAS Name: 2-azanidylethylazanide; cobalt; pentane-2,4-dione
OPENEYE Name: 2-azanidylethylazanide; cobalt; pentane-2,4-dione
IUPAC Name: 2-azanidylethylazanide; cobalt; pentane-2,4-dione
SYSTEMATIC NAME: 2-azanidylethylazanide; cobalt; pentane-2,4-dione
MOLECULAR FORMULA: C9H20CoN4O2-4
MOLECULAR WEIGHT: 275.2139
SMILES: CC(=O)CC(=O)C.C(C[NH-])[NH-].C(C[NH-])[NH-].[Co]
Structure:
CAS RN: 2110-41-0
CAS Name: 1-cyclohexyl-4-(4-morpholinyl)-1-phenyl-2-butyn-1-ol chloride
OPENEYE Name: 1-cyclohexyl-4-morpholino-1-phenyl-but-2-yn-1-ol chloride
IUPAC Name: 1-cyclohexyl-4-morpholin-4-yl-1-phenylbut-2-yn-1-ol chloride
SYSTEMATIC NAME: 1-cyclohexyl-4-morpholin-4-yl-1-phenyl-but-2-yn-1-ol chloride
MOLECULAR FORMULA: C20H27ClNO2-
MOLECULAR WEIGHT: 348.88688
SMILES: C1CCC(CC1)C(C#CCN2CCOCC2)(C3=CC=CC=C3)O.[Cl-]
Structure:
CAS RN: 2269-28-5
CAS Name: 1-cyclohexyl-1-phenyl-4-(1-piperidinyl)-2-butyn-1-ol chloride
OPENEYE Name: 1-cyclohexyl-1-phenyl-4-(1-piperidyl)but-2-yn-1-ol chloride
IUPAC Name: 1-cyclohexyl-1-phenyl-4-piperidin-1-ylbut-2-yn-1-ol chloride
SYSTEMATIC NAME: 1-cyclohexyl-1-phenyl-4-piperidin-1-yl-but-2-yn-1-ol chloride
MOLECULAR FORMULA: C21H29ClNO-
MOLECULAR WEIGHT: 346.91406
SMILES: C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=CC=C3)O.[Cl-]
Structure:
CAS RN: 2110-45-4
CAS Name: 1-cyclohexyl-4-(diethylamino)-1-phenyl-2-butyn-1-ol chloride
OPENEYE Name: 1-cyclohexyl-4-(diethylamino)-1-phenyl-but-2-yn-1-ol chloride
IUPAC Name: 1-cyclohexyl-4-(diethylamino)-1-phenylbut-2-yn-1-ol chloride
SYSTEMATIC NAME: 1-cyclohexyl-4-(diethylamino)-1-phenyl-but-2-yn-1-ol chloride
MOLECULAR FORMULA: C20H29ClNO-
MOLECULAR WEIGHT: 334.90336
SMILES: CCN(CC)CC#CC(C1CCCCC1)(C2=CC=CC=C2)O.[Cl-]
Structure:
CAS RN: 70438-99-2
CAS Name: 4-(dimethylamino)-2-butyn-1-ol hydrochloride
OPENEYE Name: 4-(dimethylamino)but-2-yn-1-ol hydrochloride
IUPAC Name: 4-(dimethylamino)but-2-yn-1-ol hydrochloride
SYSTEMATIC NAME: 4-(dimethylamino)but-2-yn-1-ol hydrochloride
MOLECULAR FORMULA: C6H12ClNO
MOLECULAR WEIGHT: 149.61858
SMILES: CN(C)CC#CCO.Cl
Structure:
CAS RN: 17781-97-4
CAS Name: 1-phenyl-1-cyclopentanecarboxylic acid 4-(1-piperidinyl)but-2-ynyl ester chloride
OPENEYE Name: 4-(1-piperidyl)but-2-ynyl 1-phenylcyclopentanecarboxylate chloride
IUPAC Name: 4-piperidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate chloride
SYSTEMATIC NAME: 4-piperidin-1-ylbut-2-ynyl 1-phenylcyclopentane-1-carboxylate chloride
MOLECULAR FORMULA: C21H27ClNO2-
MOLECULAR WEIGHT: 360.89758
SMILES: C1CCN(CC1)CC#CCOC(=O)C2(CCCC2)C3=CC=CC=C3.[Cl-]
Structure:
CAS RN: 90562-54-2
CAS Name: 2-[(4-chlorophenyl)methylamino]acetic acid hydrochloride
OPENEYE Name: 2-[(4-chlorophenyl)methylamino]acetic acid hydrochloride
IUPAC Name: 2-[(4-chlorophenyl)methylamino]acetic acid hydrochloride
SYSTEMATIC NAME: 2-[(4-chlorophenyl)methylamino]ethanoic acid hydrochloride
MOLECULAR FORMULA: C9H11Cl2NO2
MOLECULAR WEIGHT: 236.09514
SMILES: C1=CC(=CC=C1CNCC(=O)O)Cl.Cl
Structure:
CAS RN: 91012-15-6
CAS Name: 2-[(4-methylphenyl)methylamino]acetic acid chloride
OPENEYE Name: 2-(p-tolylmethylamino)acetic acid chloride
IUPAC Name: 2-[(4-methylphenyl)methylamino]acetic acid chloride
SYSTEMATIC NAME: 2-[(4-methylphenyl)methylamino]ethanoic acid chloride
MOLECULAR FORMULA: C10H13ClNO2-
MOLECULAR WEIGHT: 214.66872
SMILES: CC1=CC=C(C=C1)CNCC(=O)O.[Cl-]
Structure:
CAS RN: 2622-25-5
CAS Name: 10-[3-(1-pyrrolidinyl)propyl]phenothiazine hydrochloride
OPENEYE Name: 10-(3-pyrrolidin-1-ylpropyl)phenothiazine hydrochloride
IUPAC Name: 10-(3-pyrrolidin-1-ylpropyl)phenothiazine hydrochloride
SYSTEMATIC NAME: 10-(3-pyrrolidin-1-ylpropyl)phenothiazine hydrochloride
MOLECULAR FORMULA: C19H23ClN2S
MOLECULAR WEIGHT: 346.91732
SMILES: C1CCN(C1)CCCN2C3=CC=CC=C3SC4=CC=CC=C42.Cl
Structure:
CAS RN: 6637-67-8
CAS Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol chloride
OPENEYE Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol chloride
IUPAC Name: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol chloride
SYSTEMATIC NAME: 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol chloride
MOLECULAR FORMULA: C14H21ClN3O2-
MOLECULAR WEIGHT: 298.78844
SMILES: CC1=CC2=C(C=C1C)N=C(N2)CN(CCO)CCO.[Cl-]
Structure:
CAS RN: 16091-69-3
CAS Name: 2-[(6-chloro-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol hydrochloride
OPENEYE Name: 2-[(6-chloro-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol hydrochloride
IUPAC Name: 2-[(6-chloro-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[(6-chloranyl-1H-benzimidazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol hydrochloride
MOLECULAR FORMULA: C12H17Cl2N3O2
MOLECULAR WEIGHT: 306.18828
SMILES: C1=CC2=C(C=C1Cl)NC(=N2)CN(CCO)CCO.Cl
Structure:
CAS RN: 77984-97-5
CAS Name: N-(2-methylphenyl)-2-(1-pyrrolidinyl)acetamide chloride
OPENEYE Name: N-(o-tolyl)-2-pyrrolidin-1-yl-acetamide chloride
IUPAC Name: N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide chloride
SYSTEMATIC NAME: N-(2-methylphenyl)-2-pyrrolidin-1-yl-ethanamide chloride
MOLECULAR FORMULA: C13H18ClN2O-
MOLECULAR WEIGHT: 253.74782
SMILES: CC1=CC=CC=C1NC(=O)CN2CCCC2.[Cl-]
Structure:
CAS RN: 77966-87-1
CAS Name: N-(2,6-dimethylphenyl)-2-(2-methyl-1-piperidinyl)acetamide chloride
OPENEYE Name: N-(2,6-dimethylphenyl)-2-(2-methyl-1-piperidyl)acetamide chloride
IUPAC Name: N-(2,6-dimethylphenyl)-2-(2-methylpiperidin-1-yl)acetamide chloride
SYSTEMATIC NAME: N-(2,6-dimethylphenyl)-2-(2-methylpiperidin-1-yl)ethanamide chloride
MOLECULAR FORMULA: C16H24ClN2O-
MOLECULAR WEIGHT: 295.82756
SMILES: CC1CCCCN1CC(=O)NC2=C(C=CC=C2C)C.[Cl-]
Structure:
CAS RN: 126-83-0
CAS Name: 3-chloro-2-hydroxy-1-propanesulfonic acid; sodium
OPENEYE Name: 3-chloro-2-hydroxy-propane-1-sulfonic acid; sodium
IUPAC Name: 3-chloro-2-hydroxypropane-1-sulfonic acid; sodium
SYSTEMATIC NAME: 3-chloranyl-2-oxidanyl-propane-1-sulfonic acid; sodium
MOLECULAR FORMULA: C3H7ClNaO4S
MOLECULAR WEIGHT: 197.59305
SMILES: C(C(CCl)O)S(=O)(=O)O.[Na]
Structure:
CAS RN: 6635-83-2
CAS Name: 2-[bis(2-chloroethyl)aminomethyl]-5-ethoxyoxolane-3,4-diol hydrochloride
OPENEYE Name: 2-[bis(2-chloroethyl)aminomethyl]-5-ethoxy-tetrahydrofuran-3,4-diol hydrochloride
IUPAC Name: 2-[bis(2-chloroethyl)aminomethyl]-5-ethoxyoxolane-3,4-diol hydrochloride
SYSTEMATIC NAME: 2-[bis(2-chloroethyl)aminomethyl]-5-ethoxy-oxolane-3,4-diol hydrochloride
MOLECULAR FORMULA: C11H22Cl3NO4
MOLECULAR WEIGHT: 338.65568
SMILES: CCOC1C(C(C(O1)CN(CCCl)CCCl)O)O.Cl
Structure:
CAS RN: 6637-09-8
CAS Name: 1-[4-(2,5-dimethyl-1-pyrrolidinyl)butyl]-2,5-dimethylpyrrolidine chloride
OPENEYE Name: 1-[4-(2,5-dimethylpyrrolidin-1-yl)butyl]-2,5-dimethyl-pyrrolidine chloride
IUPAC Name: 1-[4-(2,5-dimethylpyrrolidin-1-yl)butyl]-2,5-dimethylpyrrolidine chloride
SYSTEMATIC NAME: 1-[4-(2,5-dimethylpyrrolidin-1-yl)butyl]-2,5-dimethyl-pyrrolidine chloride
MOLECULAR FORMULA: C16H32ClN2-
MOLECULAR WEIGHT: 287.89168
SMILES: CC1CCC(N1CCCCN2C(CCC2C)C)C.[Cl-]
Structure:
CAS RN: 6637-07-6
CAS Name: 4-methyl-1,2-dihydrocinnoline chloride
OPENEYE Name: 4-methyl-1,2-dihydrocinnoline chloride
IUPAC Name: 4-methyl-1,2-dihydrocinnoline chloride
SYSTEMATIC NAME: 4-methyl-1,2-dihydrocinnoline chloride
MOLECULAR FORMULA: C9H10ClN2-
MOLECULAR WEIGHT: 181.6421
SMILES: CC1=CNNC2=CC=CC=C12.[Cl-]
Structure:
CAS RN: 14024-62-5
CAS Name: pentane-2,4-dione; vanadium
OPENEYE Name: pentane-2,4-dione; vanadium
IUPAC Name: pentane-2,4-dione; vanadium
SYSTEMATIC NAME: pentane-2,4-dione; vanadium
MOLECULAR FORMULA: C10H16O4V
MOLECULAR WEIGHT: 251.17314
SMILES: CC(=O)CC(=O)C.CC(=O)CC(=O)C.[V]
Structure:
CAS RN: 13680-56-3
CAS Name: amino-[(2-chlorophenyl)methyl]-dimethylammonium chloride
OPENEYE Name: amino-[(2-chlorophenyl)methyl]-dimethyl-ammonium chloride
IUPAC Name: amino-[(2-chlorophenyl)methyl]-dimethylazanium chloride
SYSTEMATIC NAME: azanyl-[(2-chlorophenyl)methyl]-dimethyl-azanium chloride
MOLECULAR FORMULA: C9H14Cl2N2
MOLECULAR WEIGHT: 221.12686
SMILES: C[N+](C)(CC1=CC=CC=C1Cl)N.[Cl-]
Structure:
CAS RN: 6635-39-8
CAS Name: 2-azido-1,3-benzothiazole
OPENEYE Name: 2-azido-1,3-benzothiazole
IUPAC Name: 2-azido-1,3-benzothiazole
SYSTEMATIC NAME: 2-azido-1,3-benzothiazole
MOLECULAR FORMULA: C7H4N4S
MOLECULAR WEIGHT: 176.19846
SMILES: C1=CC=C2C(=C1)N=C(S2)N=[N+]=[N-]
Structure:
CAS RN: 7460-37-9
CAS Name: 6,7-dimethoxy-N2,N2-bis(prop-2-enyl)quinazoline-2,4-diamine chloride
OPENEYE Name: N2,N2-diallyl-6,7-dimethoxy-quinazoline-2,4-diamine chloride
IUPAC Name: 6,7-dimethoxy-2-N,2-N-bis(prop-2-enyl)quinazoline-2,4-diamine chloride
SYSTEMATIC NAME: 6,7-dimethoxy-N2,N2-bis(prop-2-enyl)quinazoline-2,4-diamine chloride
MOLECULAR FORMULA: C16H20ClN4O2-
MOLECULAR WEIGHT: 335.8086
SMILES: COC1=C(C=C2C(=C1)C(=NC(=N2)N(CC=C)CC=C)N)OC.[Cl-]
Structure:
CAS RN: 6637-23-6
CAS Name: 1-(6-chloro-4-methyl-2-quinazolinyl)-2-ethylguanidine hydrochloride
OPENEYE Name: 1-(6-chloro-4-methyl-quinazolin-2-yl)-2-ethyl-guanidine hydrochloride
IUPAC Name: 1-(6-chloro-4-methylquinazolin-2-yl)-2-ethylguanidine hydrochloride
SYSTEMATIC NAME: 1-(6-chloranyl-4-methyl-quinazolin-2-yl)-2-ethyl-guanidine hydrochloride
MOLECULAR FORMULA: C12H15Cl2N5
MOLECULAR WEIGHT: 300.187
SMILES: CCN=C(N)NC1=NC2=C(C=C(C=C2)Cl)C(=N1)C.Cl
Structure:
CAS RN: 6634-52-2
CAS Name: 2-(1-pyrenyl)-3-isoquinolin-2-iumcarboxaldehyde bromide
OPENEYE Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide
IUPAC Name: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide
SYSTEMATIC NAME: 2-pyren-1-ylisoquinolin-2-ium-3-carbaldehyde bromide
MOLECULAR FORMULA: C26H16BrNO
MOLECULAR WEIGHT: 438.31534
SMILES: C1=CC=C2C=[N+](C(=CC2=C1)C=O)C3=C4C=CC5=CC=CC6=C5C4=C(C=C6)C=C3.[Br-]
Structure:
CAS RN: 7147-58-2
CAS Name: oxo-[(E)-[1-(1-pyrenylmethyl)-2-pyridinylidene]methyl]ammonium bromide
OPENEYE Name: oxo-[(E)-[1-(pyren-1-ylmethyl)-2-pyridylidene]methyl]ammonium bromide
IUPAC Name: oxo-[(E)-[1-(pyren-1-ylmethyl)pyridin-2-ylidene]methyl]azanium bromide
SYSTEMATIC NAME: oxidanylidene-[(E)-[1-(pyren-1-ylmethyl)pyridin-2-ylidene]methyl]azanium bromide
MOLECULAR FORMULA: C23H17BrN2O
MOLECULAR WEIGHT: 417.29788
SMILES: C1=C/C(=C\[NH+]=O)/N(C=C1)CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C=C2.[Br-]
Structure:
CAS RN: 5338-83-0
CAS Name: 4-(2-phenylethyl)-5-(2-phenylethylimino)-1,2,4-dithiazolidin-3-one bromide
OPENEYE Name: 4-(2-phenylethyl)-5-(2-phenylethylimino)-1,2,4-dithiazolidin-3-one bromide
IUPAC Name: 4-(2-phenylethyl)-5-(2-phenylethylimino)-1,2,4-dithiazolidin-3-one bromide
SYSTEMATIC NAME: 4-(2-phenylethyl)-5-(2-phenylethylimino)-1,2,4-dithiazolidin-3-one bromide
MOLECULAR FORMULA: C18H18BrN2OS2-
MOLECULAR WEIGHT: 422.38232
SMILES: C1=CC=C(C=C1)CCN=C2N(C(=O)SS2)CCC3=CC=CC=C3.[Br-]
Structure:
CAS RN: 6634-49-7
CAS Name: [(Z)-[2-[(4-methylphenyl)methyl]-3-isoquinolinylidene]methyl]-oxoammonium bromide
OPENEYE Name: oxo-[(Z)-[2-(p-tolylmethyl)-3-isoquinolylidene]methyl]ammonium bromide
IUPAC Name: [(Z)-[2-[(4-methylphenyl)methyl]isoquinolin-3-ylidene]methyl]-oxoazanium bromide
SYSTEMATIC NAME: [(Z)-[2-[(4-methylphenyl)methyl]isoquinolin-3-ylidene]methyl]-oxidanylidene-azanium bromide
MOLECULAR FORMULA: C18H17BrN2O
MOLECULAR WEIGHT: 357.24438
SMILES: CC1=CC=C(C=C1)CN\2C=C3C=CC=CC3=C/C2=C/[NH+]=O.[Br-]
Structure:
CAS RN: 6634-43-1
CAS Name: carbamimidothioic acid (3-anilino-3-oxopropyl) ester chloride
OPENEYE Name: 3-carbamimidoylsulfanyl-N-phenyl-propanamide chloride
IUPAC Name: (3-anilino-3-oxopropyl) carbamimidothioate chloride
SYSTEMATIC NAME: (3-oxidanylidene-3-phenylazanyl-propyl) carbamimidothioate chloride
MOLECULAR FORMULA: C10H13ClN3OS-
MOLECULAR WEIGHT: 258.74772
SMILES: C1=CC=C(C=C1)NC(=O)CCSC(=N)N.[Cl-]
Structure:
CAS RN: 6634-42-0
CAS Name: carbamimidothioic acid [3-(tert-butylamino)-3-oxopropyl] ester chloride
OPENEYE Name: N-tert-butyl-3-carbamimidoylsulfanyl-propanamide chloride
IUPAC Name: [3-(tert-butylamino)-3-oxopropyl] carbamimidothioate chloride
SYSTEMATIC NAME: [3-(tert-butylamino)-3-oxidanylidene-propyl] carbamimidothioate chloride
MOLECULAR FORMULA: C8H17ClN3OS-
MOLECULAR WEIGHT: 238.75808
SMILES: CC(C)(C)NC(=O)CCSC(=N)N.[Cl-]
Structure:
CAS RN: 6634-41-9
CAS Name: carbamimidothioic acid [3-[[[3-(carbamimidoylthio)-1-oxopropyl]amino]methylamino]-3-oxopropyl] ester chloride
OPENEYE Name: 3-carbamimidoylsulfanyl-N-[(3-carbamimidoylsulfanylpropanoylamino)methyl]propanamide chloride
IUPAC Name: [3-[(3-carbamimidoylsulfanylpropanoylamino)methylamino]-3-oxopropyl] carbamimidothioate chloride
SYSTEMATIC NAME: [3-[(3-carbamimidoylsulfanylpropanoylamino)methylamino]-3-oxidanylidene-propyl] carbamimidothioate chloride
MOLECULAR FORMULA: C9H18ClN6O2S2-
MOLECULAR WEIGHT: 341.86122
SMILES: C(CSC(=N)N)C(=O)NCNC(=O)CCSC(=N)N.[Cl-]
Structure:
CAS RN: 6951-66-2
CAS Name: carbamimidothioic acid (3-amino-3-oxopropyl) ester chloride
OPENEYE Name: 3-carbamimidoylsulfanylpropanamide chloride
IUPAC Name: (3-amino-3-oxopropyl) carbamimidothioate chloride
SYSTEMATIC NAME: (3-azanyl-3-oxidanylidene-propyl) carbamimidothioate chloride
MOLECULAR FORMULA: C4H9ClN3OS-
MOLECULAR WEIGHT: 182.65176
SMILES: C(CSC(=N)N)C(=O)N.[Cl-]
Structure:
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