Thursday, July 28, 2011

http://ChemLookup.com Compounds




CAS RN: 32418-49-8
CAS Name: 1,1-diethyl-4-methyl-5-oxo-1,2,4-triazol-1-ium-3-olate
OPENEYE Name: 1,1-diethyl-4-methyl-5-oxo-1,2,4-triazol-1-ium-3-olate
IUPAC Name: 1,1-diethyl-4-methyl-5-oxo-1,2,4-triazol-1-ium-3-olate
SYSTEMATIC NAME: 1,1-diethyl-4-methyl-5-oxidanylidene-1,2,4-triazol-1-ium-3-olate
MOLECULAR FORMULA: C7H13N3O2
MOLECULAR WEIGHT: 171.19702
SMILES: CC[N+]1(C(=O)N(C(=N1)[O-])C)CC
Structure:

CAS RN: 32418-52-3
CAS Name: 2,2-dimethyl-1-propan-2-yl-5-propan-2-ylimino-4-triazol-2-iumolate
OPENEYE Name: 1-isopropyl-5-isopropylimino-2,2-dimethyl-triazol-2-ium-4-olate
IUPAC Name: 2,2-dimethyl-1-propan-2-yl-5-propan-2-yliminotriazol-2-ium-4-olate
SYSTEMATIC NAME: 2,2-dimethyl-1-propan-2-yl-5-propan-2-ylimino-1,2,3-triazol-2-ium-4-olate
MOLECULAR FORMULA: C10H20N4O
MOLECULAR WEIGHT: 212.292
SMILES: CC(C)N=C1C(=N[N+](N1C(C)C)(C)C)[O-]
Structure:

CAS RN: 81265-41-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H11Cl2NO2S
MOLECULAR WEIGHT: 280.17084
SMILES: C[S+](=O)(C)C=C(NC1=CC(=C(C=C1)Cl)Cl)[O-]
Structure:

CAS RN: 4513-07-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C10H13NO2S
MOLECULAR WEIGHT: 211.28072
SMILES: C[S+](=O)(C)C=C(NC1=CC=CC=C1)[O-]
Structure:

CAS RN: 38959-13-6
CAS Name: dichloroplatinum(2+); 1-methoxy-3,7-dimethyl-2-octene; platinum(2+)
OPENEYE Name: dichloroplatinum(2+); 1-methoxy-3,7-dimethyl-oct-2-ene; platinum(2+)
IUPAC Name: dichloroplatinum(2+); 1-methoxy-3,7-dimethyloct-2-ene; platinum(2+)
SYSTEMATIC NAME: bis(chloranyl)platinum(2+); 1-methoxy-3,7-dimethyl-oct-2-ene; platinum(2+)
MOLECULAR FORMULA: C22H40Cl2O2Pt2
MOLECULAR WEIGHT: 797.6138
SMILES: CC(C)[CH-]CCC(=[C-]COC)C.CC(C)[CH-]CCC(=[C-]COC)C.Cl[Pt+2]Cl.[Pt+2]
Structure:

CAS RN: 40120-13-6
CAS Name: 2-butyl-3a,4,5,9b-tetrahydropyrrolo[3,4-h]isoquinoline-1,3-dione hydrochloride
OPENEYE Name: 2-butyl-3a,4,5,9b-tetrahydropyrrolo[3,4-h]isoquinoline-1,3-dione hydrochloride
IUPAC Name: 2-butyl-3a,4,5,9b-tetrahydropyrrolo[3,4-h]isoquinoline-1,3-dione hydrochloride
SYSTEMATIC NAME: 2-butyl-3a,4,5,9b-tetrahydropyrrolo[3,4-h]isoquinoline-1,3-dione hydrochloride
MOLECULAR FORMULA: C15H19ClN2O2
MOLECULAR WEIGHT: 294.77656
SMILES: CCCCN1C(=O)C2CCC3=C(C2C1=O)C=NC=C3.Cl
Structure:

CAS RN: 54946-37-1
CAS Name: 2-methoxy-N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-methoxy-N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]ethanamine hydrochloride
IUPAC Name: 2-methoxy-N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-methoxy-N-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C12H24ClNO5
MOLECULAR WEIGHT: 297.77566
SMILES: CC1(OC2C(OC(C2O1)OC)CNCCOC)C.Cl
Structure:

CAS RN: 32599-13-6
CAS Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-(4-methoxyphenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C13H22ClNO2
MOLECULAR WEIGHT: 259.77228
SMILES: CCN(CC)CCOC1=CC=C(C=C1)OC.Cl
Structure:

CAS RN: 32599-11-4
CAS Name: N,N-diethyl-2-(3-methoxyphenoxy)ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-(3-methoxyphenoxy)ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-(3-methoxyphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-(3-methoxyphenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C13H22ClNO2
MOLECULAR WEIGHT: 259.77228
SMILES: CCN(CC)CCOC1=CC=CC(=C1)OC.Cl
Structure:

CAS RN: 14233-26-2
CAS Name: 2-(4-bromophenoxy)-N,N-diethylethanamine hydrochloride
OPENEYE Name: 2-(4-bromophenoxy)-N,N-diethyl-ethanamine hydrochloride
IUPAC Name: 2-(4-bromophenoxy)-N,N-diethylethanamine hydrochloride
SYSTEMATIC NAME: 2-(4-bromanylphenoxy)-N,N-diethyl-ethanamine hydrochloride
MOLECULAR FORMULA: C12H19BrClNO
MOLECULAR WEIGHT: 308.64236
SMILES: CCN(CC)CCOC1=CC=C(C=C1)Br.Cl
Structure:

CAS RN: 32599-09-0
CAS Name: N,N-diethyl-2-(2-methoxyphenoxy)ethanamine hydrochloride
OPENEYE Name: N,N-diethyl-2-(2-methoxyphenoxy)ethanamine hydrochloride
IUPAC Name: N,N-diethyl-2-(2-methoxyphenoxy)ethanamine hydrochloride
SYSTEMATIC NAME: N,N-diethyl-2-(2-methoxyphenoxy)ethanamine hydrochloride
MOLECULAR FORMULA: C13H22ClNO2
MOLECULAR WEIGHT: 259.77228
SMILES: CCN(CC)CCOC1=CC=CC=C1OC.Cl
Structure:

CAS RN: 15154-33-3
CAS Name: 4-aminobenzoic acid 3-[di(butan-2-yl)amino]propyl ester hydrochloride
OPENEYE Name: 3-(disec-butylamino)propyl 4-aminobenzoate hydrochloride
IUPAC Name: 3-[di(butan-2-yl)amino]propyl 4-aminobenzoate hydrochloride
SYSTEMATIC NAME: 3-[di(butan-2-yl)amino]propyl 4-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C18H31ClN2O2
MOLECULAR WEIGHT: 342.90394
SMILES: CCC(C)N(CCCOC(=O)C1=CC=C(C=C1)N)C(C)CC.Cl
Structure:

CAS RN: 15154-37-7
CAS Name: 4-aminobenzoic acid 3-[di(propan-2-yl)amino]propyl ester hydrochloride
OPENEYE Name: 3-(diisopropylamino)propyl 4-aminobenzoate hydrochloride
IUPAC Name: 3-[di(propan-2-yl)amino]propyl 4-aminobenzoate hydrochloride
SYSTEMATIC NAME: 3-[di(propan-2-yl)amino]propyl 4-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C16H27ClN2O2
MOLECULAR WEIGHT: 314.85078
SMILES: CC(C)N(CCCOC(=O)C1=CC=C(C=C1)N)C(C)C.Cl
Structure:

CAS RN: 17599-08-5
CAS Name: 4-aminobenzoic acid 3-(diethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(diethylamino)propyl 4-aminobenzoate hydrochloride
IUPAC Name: 3-(diethylamino)propyl 4-aminobenzoate hydrochloride
SYSTEMATIC NAME: 3-(diethylamino)propyl 4-azanylbenzoate hydrochloride
MOLECULAR FORMULA: C14H23ClN2O2
MOLECULAR WEIGHT: 286.79762
SMILES: CCN(CC)CCCOC(=O)C1=CC=C(C=C1)N.Cl
Structure:

CAS RN: 63237-26-3
CAS Name: 1-(4-aminophenyl)-4-(1-piperidinyl)-1-butanone hydrochloride
OPENEYE Name: 1-(4-aminophenyl)-4-(1-piperidyl)butan-1-one hydrochloride
IUPAC Name: 1-(4-aminophenyl)-4-piperidin-1-ylbutan-1-one hydrochloride
SYSTEMATIC NAME: 1-(4-aminophenyl)-4-piperidin-1-yl-butan-1-one hydrochloride
MOLECULAR FORMULA: C15H23ClN2O
MOLECULAR WEIGHT: 282.80892
SMILES: C1CCN(CC1)CCCC(=O)C2=CC=C(C=C2)N.Cl
Structure:

CAS RN: 41122-56-9
CAS Name: N-(2-pyridinyl)nitrous amide; sodium
OPENEYE Name: N-(2-pyridyl)nitrous amide; sodium
IUPAC Name: N-pyridin-2-ylnitrous amide; sodium
SYSTEMATIC NAME: N-pyridin-2-ylnitrous amide; sodium
MOLECULAR FORMULA: C5H5N3NaO
MOLECULAR WEIGHT: 146.10247
SMILES: C1=CC=NC(=C1)NN=O.[Na]
Structure:

CAS RN: 4589-24-6
CAS Name: N-(1-methyl-2-pyridin-1-iumyl)benzamide iodide
OPENEYE Name: N-(1-methylpyridin-1-ium-2-yl)benzamide iodide
IUPAC Name: N-(1-methylpyridin-1-ium-2-yl)benzamide iodide
SYSTEMATIC NAME: N-(1-methylpyridin-1-ium-2-yl)benzamide iodide
MOLECULAR FORMULA: C13H13IN2O
MOLECULAR WEIGHT: 340.15959
SMILES: C[N+]1=CC=CC=C1NC(=O)C2=CC=CC=C2.[I-]
Structure:

CAS RN: 38528-28-8
CAS Name: 2-(dibutylamino)-1-(6,8-dichloro-2-quinolinyl)ethanol hydrochloride
OPENEYE Name: 2-(dibutylamino)-1-(6,8-dichloro-2-quinolyl)ethanol hydrochloride
IUPAC Name: 2-(dibutylamino)-1-(6,8-dichloroquinolin-2-yl)ethanol hydrochloride
SYSTEMATIC NAME: 1-[6,8-bis(chloranyl)quinolin-2-yl]-2-(dibutylamino)ethanol hydrochloride
MOLECULAR FORMULA: C19H27Cl3N2O
MOLECULAR WEIGHT: 405.78948
SMILES: CCCCN(CCCC)CC(C1=NC2=C(C=C(C=C2C=C1)Cl)Cl)O.Cl
Structure:

CAS RN: 31001-40-8
CAS Name: [8-fluoro-2-(trifluoromethyl)-4-quinolinyl]-(2-piperidinyl)methanol hydrochloride
OPENEYE Name: [8-fluoro-2-(trifluoromethyl)-4-quinolyl]-(2-piperidyl)methanol hydrochloride
IUPAC Name: [8-fluoro-2-(trifluoromethyl)quinolin-4-yl]-piperidin-2-ylmethanol hydrochloride
SYSTEMATIC NAME: [8-fluoranyl-2-(trifluoromethyl)quinolin-4-yl]-piperidin-2-yl-methanol hydrochloride
MOLECULAR FORMULA: C16H17ClF4N2O
MOLECULAR WEIGHT: 364.765593
SMILES: C1CCNC(C1)C(C2=CC(=NC3=C2C=CC=C3F)C(F)(F)F)O.Cl
Structure:

CAS RN: 50292-00-7
CAS Name: N-hydroxyoctanamide; sodium
OPENEYE Name: octanehydroxamic acid; sodium
IUPAC Name: N-hydroxyoctanamide; sodium
SYSTEMATIC NAME: N-oxidanyloctanamide; sodium
MOLECULAR FORMULA: C8H17NNaO2
MOLECULAR WEIGHT: 182.21585
SMILES: CCCCCCCC(=O)NO.[Na]
Structure:

CAS RN: 2654-51-5
CAS Name: 4-chloro-1,2-dimethylquinolin-1-ium; methyl sulfate
OPENEYE Name: 4-chloro-1,2-dimethyl-quinolin-1-ium; methyl sulfate
IUPAC Name: 4-chloro-1,2-dimethylquinolin-1-ium; methyl sulfate
SYSTEMATIC NAME: 4-chloranyl-1,2-dimethyl-quinolin-1-ium; methyl sulfate
MOLECULAR FORMULA: C12H14ClNO4S
MOLECULAR WEIGHT: 303.76186
SMILES: CC1=[N+](C2=CC=CC=C2C(=C1)Cl)C.COS(=O)(=O)[O-]
Structure:

CAS RN: 7320-45-8
CAS Name: 1,4-diethoxy-1,4-dioxo-2-butanesulfonic acid; sodium
OPENEYE Name: 1,4-diethoxy-1,4-dioxo-butane-2-sulfonic acid; sodium
IUPAC Name: 1,4-diethoxy-1,4-dioxobutane-2-sulfonic acid; sodium
SYSTEMATIC NAME: 1,4-diethoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid; sodium
MOLECULAR FORMULA: C8H14NaO7S
MOLECULAR WEIGHT: 277.24733
SMILES: CCOC(=O)CC(C(=O)OCC)S(=O)(=O)O.[Na]
Structure:

CAS RN: 5144-51-4
CAS Name: 1,4-dibutoxy-1,4-dioxo-2-butanesulfonic acid; sodium
OPENEYE Name: 1,4-dibutoxy-1,4-dioxo-butane-2-sulfonic acid; sodium
IUPAC Name: 1,4-dibutoxy-1,4-dioxobutane-2-sulfonic acid; sodium
SYSTEMATIC NAME: 1,4-dibutoxy-1,4-bis(oxidanylidene)butane-2-sulfonic acid; sodium
MOLECULAR FORMULA: C12H22NaO7S
MOLECULAR WEIGHT: 333.35365
SMILES: CCCCOC(=O)CC(C(=O)OCCCC)S(=O)(=O)O.[Na]
Structure:

CAS RN: 54946-41-7
CAS Name: 2-[2-hydroxyethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
OPENEYE Name: 2-[2-hydroxyethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
IUPAC Name: 2-[2-hydroxyethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
SYSTEMATIC NAME: 2-[2-hydroxyethyl-[(4-methoxy-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-6-yl)methyl]amino]ethanol hydrochloride
MOLECULAR FORMULA: C13H26ClNO6
MOLECULAR WEIGHT: 327.80164
SMILES: CC1(OC2C(OC(C2O1)OC)CN(CCO)CCO)C.Cl
Structure:

CAS RN: 26467-93-6
CAS Name: 4-[2-(3,4-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium iodide
OPENEYE Name: 4-[2-(3,4-dichlorophenyl)vinyl]-1-methyl-pyridin-1-ium iodide
IUPAC Name: 4-[2-(3,4-dichlorophenyl)ethenyl]-1-methylpyridin-1-ium iodide
SYSTEMATIC NAME: 4-[2-(3,4-dichlorophenyl)ethenyl]-1-methyl-pyridin-1-ium iodide
MOLECULAR FORMULA: C14H12Cl2IN
MOLECULAR WEIGHT: 392.06225
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CC(=C(C=C2)Cl)Cl.[I-]
Structure:

CAS RN: 18606-51-4
CAS Name: tris(4-fluorophenyl)-methylphosphonium iodide
OPENEYE Name: tris(4-fluorophenyl)-methyl-phosphonium iodide
IUPAC Name: tris(4-fluorophenyl)-methylphosphanium iodide
SYSTEMATIC NAME: tris(4-fluorophenyl)-methyl-phosphanium iodide
MOLECULAR FORMULA: C19H15F3IP
MOLECULAR WEIGHT: 458.195841
SMILES: C[P+](C1=CC=C(C=C1)F)(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F.[I-]
Structure:

CAS RN: 15866-95-2
CAS Name: ammonia; 1-naphthalenylcarbamodithioic acid
OPENEYE Name: ammonia; 1-naphthylcarbamodithioic acid
IUPAC Name: azane; naphthalen-1-ylcarbamodithioic acid
SYSTEMATIC NAME: azane; naphthalen-1-ylcarbamodithioic acid
MOLECULAR FORMULA: C11H12N2S2
MOLECULAR WEIGHT: 236.35638
SMILES: C1=CC=C2C(=C1)C=CC=C2NC(=S)S.N
Structure:

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