CAS RN: 2666-17-3
CAS Name: 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxo-2-anthracenesulfonic acid; sodium
OPENEYE Name: 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxo-anthracene-2-sulfonic acid; sodium
IUPAC Name: 4-[4-[acetyl(methyl)amino]anilino]-1-amino-9,10-dioxoanthracene-2-sulfonic acid; sodium
SYSTEMATIC NAME: 1-azanyl-4-[[4-[ethanoyl(methyl)amino]phenyl]amino]-9,10-bis(oxidanylidene)anthracene-2-sulfonic acid; sodium
MOLECULAR FORMULA: C23H19N3NaO6S
MOLECULAR WEIGHT: 488.46823
SMILES: CC(=O)N(C)C1=CC=C(C=C1)NC2=CC(=C(C3=C2C(=O)C4=CC=CC=C4C3=O)N)S(=O)(=O)O.[Na]
Structure:
CAS RN: 86406-12-4
CAS Name: 6-methoxy-2-phenyl-1-benzothiopyrylium perchlorate
OPENEYE Name: 6-methoxy-2-phenyl-thiochromenylium perchlorate
IUPAC Name: 6-methoxy-2-phenylthiochromenylium perchlorate
SYSTEMATIC NAME: 6-methoxy-2-phenyl-thiochromenylium perchlorate
MOLECULAR FORMULA: C16H13ClO5S
MOLECULAR WEIGHT: 352.78942
SMILES: COC1=CC2=C(C=C1)[S+]=C(C=C2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 86406-82-8
CAS Name: methyl-(2-phenyl-1-benzothiopyran-5-ylidene)oxonium perchlorate
OPENEYE Name: methyl-(2-phenylthiochromen-5-ylidene)oxonium perchlorate
IUPAC Name: methyl-(2-phenylthiochromen-5-ylidene)oxidanium perchlorate
SYSTEMATIC NAME: methyl-(2-phenylthiochromen-5-ylidene)oxidanium perchlorate
MOLECULAR FORMULA: C16H13ClO5S
MOLECULAR WEIGHT: 352.78942
SMILES: C[O+]=C1C=CC=C2C1=CC=C(S2)C3=CC=CC=C3.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 5562-55-0
CAS Name: phenyl-[1-(2-phenylethyl)-3-piperidinyl]methanone hydrobromide
OPENEYE Name: phenyl-[1-(2-phenylethyl)-3-piperidyl]methanone hydrobromide
IUPAC Name: phenyl-[1-(2-phenylethyl)piperidin-3-yl]methanone hydrobromide
SYSTEMATIC NAME: phenyl-[1-(2-phenylethyl)piperidin-3-yl]methanone hydrobromide
MOLECULAR FORMULA: C20H24BrNO
MOLECULAR WEIGHT: 374.31466
SMILES: C1CC(CN(C1)CCC2=CC=CC=C2)C(=O)C3=CC=CC=C3.Br
Structure:
CAS RN: 32560-36-4
CAS Name: 4-chloro-1,1-dimethylpiperidin-1-ium iodide
OPENEYE Name: 4-chloro-1,1-dimethyl-piperidin-1-ium iodide
IUPAC Name: 4-chloro-1,1-dimethylpiperidin-1-ium iodide
SYSTEMATIC NAME: 4-chloranyl-1,1-dimethyl-piperidin-1-ium iodide
MOLECULAR FORMULA: C7H15ClIN
MOLECULAR WEIGHT: 275.55817
SMILES: C[N+]1(CCC(CC1)Cl)C.[I-]
Structure:
CAS RN: 20964-08-3
CAS Name: 1,3,5-trimethyl-2,6-diphenyl-4-piperidinone hydrochloride
OPENEYE Name: 1,3,5-trimethyl-2,6-diphenyl-piperidin-4-one hydrochloride
IUPAC Name: 1,3,5-trimethyl-2,6-diphenylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: 1,3,5-trimethyl-2,6-diphenyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C20H24ClNO
MOLECULAR WEIGHT: 329.86366
SMILES: CC1C(N(C(C(C1=O)C)C2=CC=CC=C2)C)C3=CC=CC=C3.Cl
Structure:
CAS RN: 39727-40-7
CAS Name: 2-chloro-3-[(3,4-dimethyl-1-pyridin-1-iumyl)methyl]quinoline bromide
OPENEYE Name: 2-chloro-3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]quinoline bromide
IUPAC Name: 2-chloro-3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]quinoline bromide
SYSTEMATIC NAME: 2-chloranyl-3-[(3,4-dimethylpyridin-1-ium-1-yl)methyl]quinoline bromide
MOLECULAR FORMULA: C17H16BrClN2
MOLECULAR WEIGHT: 363.67934
SMILES: CC1=C(C=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Cl)C.[Br-]
Structure:
CAS RN: 27415-58-3
CAS Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide
OPENEYE Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide
IUPAC Name: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide
SYSTEMATIC NAME: 2-[(4-methoxyphenyl)methyl]isoquinolin-2-ium bromide
MOLECULAR FORMULA: C17H16BrNO
MOLECULAR WEIGHT: 330.21904
SMILES: COC1=CC=C(C=C1)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]
Structure:
CAS RN: 40899-46-5
CAS Name: (4-chloro-3-pyridinyl)methanol hydrobromide
OPENEYE Name: (4-chloro-3-pyridyl)methanol hydrobromide
IUPAC Name: (4-chloropyridin-3-yl)methanol hydrobromide
SYSTEMATIC NAME: (4-chloranylpyridin-3-yl)methanol hydrobromide
MOLECULAR FORMULA: C6H7BrClNO
MOLECULAR WEIGHT: 224.48288
SMILES: C1=CN=CC(=C1Cl)CO.Br
Structure:
CAS RN: 87598-03-6
CAS Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-2-methylpyridin-1-ium-3,4-diol chloride
OPENEYE Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-2-methyl-pyridin-1-ium-3,4-diol chloride
IUPAC Name: 1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-methylpyridin-1-ium-3,4-diol chloride
SYSTEMATIC NAME: 1-[5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-methyl-pyridin-1-ium-3,4-diol chloride
MOLECULAR FORMULA: C11H16ClNO6
MOLECULAR WEIGHT: 293.70084
SMILES: CC1=[N+](C=CC(=C1O)O)C2C(C(C(O2)CO)O)O.[Cl-]
Structure:
CAS RN: 15237-64-6
CAS Name: cyclohexyl(2H-pyridin-1-yl)boranide
OPENEYE Name: cyclohexyl(2H-pyridin-1-yl)boranide
IUPAC Name: cyclohexyl(2H-pyridin-1-yl)boranide
SYSTEMATIC NAME: cyclohexyl(2H-pyridin-1-yl)boranide
MOLECULAR FORMULA: C11H16BN
MOLECULAR WEIGHT: 173.06244
SMILES: [B-]([C+]1CCCCC1)N2CC=CC=C2
Structure:
CAS RN: 84292-24-0
CAS Name: 4-(diethylamino)-2-pyrido[1,2-a]pyrimidinone hydrochloride
OPENEYE Name: 4-(diethylamino)pyrido[1,2-a]pyrimidin-2-one hydrochloride
IUPAC Name: 4-(diethylamino)pyrido[1,2-a]pyrimidin-2-one hydrochloride
SYSTEMATIC NAME: 4-(diethylamino)pyrido[1,2-a]pyrimidin-2-one hydrochloride
MOLECULAR FORMULA: C12H16ClN3O
MOLECULAR WEIGHT: 253.72794
SMILES: CCN(CC)C1=CC(=O)N=C2N1C=CC=C2.Cl
Structure:
CAS RN: 66373-43-1
CAS Name: 2-[1-(2-amino-4-methyl-5-pyrimidinyl)ethylideneamino]guanidine hydrochloride
OPENEYE Name: 2-[1-(2-amino-4-methyl-pyrimidin-5-yl)ethylideneamino]guanidine hydrochloride
IUPAC Name: 2-[1-(2-amino-4-methylpyrimidin-5-yl)ethylideneamino]guanidine hydrochloride
SYSTEMATIC NAME: 2-[1-(2-azanyl-4-methyl-pyrimidin-5-yl)ethylideneamino]guanidine hydrochloride
MOLECULAR FORMULA: C8H14ClN7
MOLECULAR WEIGHT: 243.69666
SMILES: CC1=NC(=NC=C1C(=NN=C(N)N)C)N.Cl
Structure:
CAS RN: 83200-16-2
CAS Name: N-(3,5-dibromo-2-pyridinyl)nitrous amide; sodium
OPENEYE Name: N-(3,5-dibromo-2-pyridyl)nitrous amide; sodium
IUPAC Name: N-(3,5-dibromopyridin-2-yl)nitrous amide; sodium
SYSTEMATIC NAME: N-[3,5-bis(bromanyl)pyridin-2-yl]nitrous amide; sodium
MOLECULAR FORMULA: C5H3Br2N3NaO
MOLECULAR WEIGHT: 303.89459
SMILES: C1=C(C=NC(=C1Br)NN=O)Br.[Na]
Structure:
CAS RN: 62626-41-9
CAS Name: N-hydroxy-N'-propylethanimidamide hydrochloride
OPENEYE Name: N-hydroxy-N'-propyl-acetamidine hydrochloride
IUPAC Name: N-hydroxy-N'-propylethanimidamide hydrochloride
SYSTEMATIC NAME: N-oxidanyl-N'-propyl-ethanimidamide hydrochloride
MOLECULAR FORMULA: C5H13ClN2O
MOLECULAR WEIGHT: 152.62252
SMILES: CCCN=C(C)NO.Cl
Structure:
CAS RN: 62626-12-4
CAS Name: N-hydroxy-N'-methylethanimidamide hydrochloride
OPENEYE Name: N-hydroxy-N'-methyl-acetamidine hydrochloride
IUPAC Name: N-hydroxy-N'-methylethanimidamide hydrochloride
SYSTEMATIC NAME: N'-methyl-N-oxidanyl-ethanimidamide hydrochloride
MOLECULAR FORMULA: C3H9ClN2O
MOLECULAR WEIGHT: 124.56936
SMILES: CC(=NC)NO.Cl
Structure:
CAS RN: 53004-73-2
CAS Name: N-(6-methoxy-1,3-benzothiazol-2-yl)nitrous amide; sodium
OPENEYE Name: N-(6-methoxy-1,3-benzothiazol-2-yl)nitrous amide; sodium
IUPAC Name: N-(6-methoxy-1,3-benzothiazol-2-yl)nitrous amide; sodium
SYSTEMATIC NAME: N-(6-methoxy-1,3-benzothiazol-2-yl)nitrous amide; sodium
MOLECULAR FORMULA: C8H7N3NaO2S
MOLECULAR WEIGHT: 232.21485
SMILES: COC1=CC2=C(C=C1)N=C(S2)NN=O.[Na]
Structure:
CAS RN: 53004-70-9
CAS Name: N-(1,3-benzothiazol-2-yl)nitrous amide; sodium
OPENEYE Name: N-(1,3-benzothiazol-2-yl)nitrous amide; sodium
IUPAC Name: N-(1,3-benzothiazol-2-yl)nitrous amide; sodium
SYSTEMATIC NAME: N-(1,3-benzothiazol-2-yl)nitrous amide; sodium
MOLECULAR FORMULA: C7H5N3NaOS
MOLECULAR WEIGHT: 202.18887
SMILES: C1=CC=C2C(=C1)N=C(S2)NN=O.[Na]
Structure:
CAS RN: 82394-10-3
CAS Name: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine hydrochloride
OPENEYE Name: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methyl-methanamine hydrochloride
IUPAC Name: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methylmethanamine hydrochloride
SYSTEMATIC NAME: 1-(4-methoxy-6,11-dihydrobenzo[c][1]benzothiepin-11-yl)-N-methyl-methanamine hydrochloride
MOLECULAR FORMULA: C17H20ClNOS
MOLECULAR WEIGHT: 321.8648
SMILES: CNCC1C2=C(C(=CC=C2)OC)SCC3=CC=CC=C13.Cl
Structure:
CAS RN: 83200-17-3
CAS Name: N-(5-bromo-2-pyridinyl)nitrous amide; sodium
OPENEYE Name: N-(5-bromo-2-pyridyl)nitrous amide; sodium
IUPAC Name: N-(5-bromopyridin-2-yl)nitrous amide; sodium
SYSTEMATIC NAME: N-(5-bromanylpyridin-2-yl)nitrous amide; sodium
MOLECULAR FORMULA: C5H4BrN3NaO
MOLECULAR WEIGHT: 224.99853
SMILES: C1=CC(=NC=C1Br)NN=O.[Na]
Structure:
CAS RN: 103829-56-7
CAS Name: N-(2-pyrazinyl)nitrous amide; sodium
OPENEYE Name: N-pyrazin-2-ylnitrous amide; sodium
IUPAC Name: N-pyrazin-2-ylnitrous amide; sodium
SYSTEMATIC NAME: N-pyrazin-2-ylnitrous amide; sodium
MOLECULAR FORMULA: C4H4N4NaO
MOLECULAR WEIGHT: 147.09053
SMILES: C1=CN=C(C=N1)NN=O.[Na]
Structure:
CAS RN: 40816-51-1
CAS Name: zinc [1-carboxy-3-(methylthio)propyl]azanide
OPENEYE Name: zinc (1-carboxy-3-methylsulfanyl-propyl)azanide
IUPAC Name: zinc (1-carboxy-3-methylsulfanylpropyl)azanide
SYSTEMATIC NAME: zinc (4-methylsulfanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)azanide
MOLECULAR FORMULA: C10H20N2O4S2Zn
MOLECULAR WEIGHT: 361.8158
SMILES: CSCCC(C(=O)O)[NH-].CSCCC(C(=O)O)[NH-].[Zn+2]
Structure:
CAS RN: 34200-96-9
CAS Name: 2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione; sodium
OPENEYE Name: 2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione; sodium
IUPAC Name: 2-(1,4-dihydroxyheptylidene)cyclopentane-1,3-dione; sodium
SYSTEMATIC NAME: 2-[1,4-bis(oxidanyl)heptylidene]cyclopentane-1,3-dione; sodium
MOLECULAR FORMULA: C12H18NaO4
MOLECULAR WEIGHT: 249.25869
SMILES: CCCC(CCC(=C1C(=O)CCC1=O)O)O.[Na]
Structure:
CAS RN: 89651-52-5
CAS Name: 2-chloro-N-(2-chloroethyl)-N-[(5,6-dimethyl-11-pyrido[4,3-b]carbazolyl)methyl]ethanamine hydrochloride
OPENEYE Name: 2-chloro-N-(2-chloroethyl)-N-[(5,6-dimethylpyrido[4,3-b]carbazol-11-yl)methyl]ethanamine hydrochloride
IUPAC Name: 2-chloro-N-(2-chloroethyl)-N-[(5,6-dimethylpyrido[4,3-b]carbazol-11-yl)methyl]ethanamine hydrochloride
SYSTEMATIC NAME: 2-chloranyl-N-(2-chloroethyl)-N-[(5,6-dimethylpyrido[4,3-b]carbazol-11-yl)methyl]ethanamine hydrochloride
MOLECULAR FORMULA: C22H24Cl3N3
MOLECULAR WEIGHT: 436.80506
SMILES: CC1=C2C(=C(C3=C1C=CN=C3)CN(CCCl)CCCl)C4=CC=CC=C4N2C.Cl
Structure:
CAS RN: 2292-10-6
CAS Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
OPENEYE Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
IUPAC Name: 3-chloro-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
SYSTEMATIC NAME: 3-chloranyl-8-methyl-8-azabicyclo[3.2.1]octane hydrochloride
MOLECULAR FORMULA: C8H15Cl2N
MOLECULAR WEIGHT: 196.1174
SMILES: CN1C2CCC1CC(C2)Cl.Cl
Structure:
CAS RN: 89481-42-5
CAS Name: 4-[(2E)-2-(2-methyl-4-oxo-3-benzo[h]quinolinylidene)hydrazinyl]benzenecarboximidamide hydrochloride
OPENEYE Name: 4-[(2E)-2-(2-methyl-4-oxo-benzo[h]quinolin-3-ylidene)hydrazino]benzamidine hydrochloride
IUPAC Name: 4-[(2E)-2-(2-methyl-4-oxobenzo[h]quinolin-3-ylidene)hydrazinyl]benzenecarboximidamide hydrochloride
SYSTEMATIC NAME: 4-[(2E)-2-(2-methyl-4-oxidanylidene-benzo[h]quinolin-3-ylidene)hydrazinyl]benzenecarboximidamide hydrochloride
MOLECULAR FORMULA: C21H18ClN5O
MOLECULAR WEIGHT: 391.85352
SMILES: CC\1=NC2=C(C=CC3=CC=CC=C32)C(=O)/C1=N/NC4=CC=C(C=C4)C(=N)N.Cl
Structure:
CAS RN: 39727-38-3
CAS Name: 1-[1-[(2-bromo-3-quinolinyl)methyl]-4-pyridin-1-iumyl]ethanone bromide
OPENEYE Name: 1-[1-[(2-bromo-3-quinolyl)methyl]pyridin-1-ium-4-yl]ethanone bromide
IUPAC Name: 1-[1-[(2-bromoquinolin-3-yl)methyl]pyridin-1-ium-4-yl]ethanone bromide
SYSTEMATIC NAME: 1-[1-[(2-bromanylquinolin-3-yl)methyl]pyridin-1-ium-4-yl]ethanone bromide
MOLECULAR FORMULA: C17H14Br2N2O
MOLECULAR WEIGHT: 422.11386
SMILES: CC(=O)C1=CC=[N+](C=C1)CC2=CC3=CC=CC=C3N=C2Br.[Br-]
Structure:
CAS RN: 51994-56-0
CAS Name: N-methoxy-1-(1-methyl-4-pyridin-1-iumyl)methanimine iodide
OPENEYE Name: N-methoxy-1-(1-methylpyridin-1-ium-4-yl)methanimine iodide
IUPAC Name: N-methoxy-1-(1-methylpyridin-1-ium-4-yl)methanimine iodide
SYSTEMATIC NAME: N-methoxy-1-(1-methylpyridin-1-ium-4-yl)methanimine iodide
MOLECULAR FORMULA: C8H11IN2O
MOLECULAR WEIGHT: 278.09021
SMILES: C[N+]1=CC=C(C=C1)C=NOC.[I-]
Structure:
CAS RN: 85318-76-9
CAS Name: dimethyl-[3-[[oxo-(2-phenyl-4-thiazolyl)methyl]amino]propyl]sulfonium chloride
OPENEYE Name: dimethyl-[3-[(2-phenylthiazole-4-carbonyl)amino]propyl]sulfonium chloride
IUPAC Name: dimethyl-[3-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]propyl]sulfanium chloride
SYSTEMATIC NAME: dimethyl-[3-[(2-phenyl-1,3-thiazol-4-yl)carbonylamino]propyl]sulfanium chloride
MOLECULAR FORMULA: C15H19ClN2OS2
MOLECULAR WEIGHT: 342.90716
SMILES: C[S+](C)CCCNC(=O)C1=CSC(=N1)C2=CC=CC=C2.[Cl-]
Structure:
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