Monday, July 25, 2011

http://ChemLookup.com Compounds




CAS RN: 70628-19-2
CAS Name: N-[2-(diethylamino)ethyl]-4-(phenoxymethyl)benzamide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]-4-(phenoxymethyl)benzamide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-4-(phenoxymethyl)benzamide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-4-(phenoxymethyl)benzamide hydrochloride
MOLECULAR FORMULA: C20H27ClN2O2
MOLECULAR WEIGHT: 362.89358
SMILES: CCN(CC)CCNC(=O)C1=CC=C(C=C1)COC2=CC=CC=C2.Cl
Structure:

CAS RN: 73834-71-6
CAS Name: 1,2,3,4-tetrahydrophenanthro[9,10-c]pyridine hydrochloride
OPENEYE Name: 1,2,3,4-tetrahydrophenanthro[9,10-c]pyridine hydrochloride
IUPAC Name: 1,2,3,4-tetrahydrophenanthro[9,10-c]pyridine hydrochloride
SYSTEMATIC NAME: 1,2,3,4-tetrahydrophenanthro[9,10-c]pyridine hydrochloride
MOLECULAR FORMULA: C17H16ClN
MOLECULAR WEIGHT: 269.76864
SMILES: C1CNCC2=C1C3=CC=CC=C3C4=CC=CC=C24.Cl
Structure:

CAS RN: 39824-97-0
CAS Name: (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)methanamine hydrochloride
OPENEYE Name: (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)methanamine hydrochloride
IUPAC Name: (1,2,3,4,7,7-hexachloro-5-bicyclo[2.2.1]hept-2-enyl)methanamine hydrochloride
SYSTEMATIC NAME: [1,2,3,4,7,7-hexakis(chloranyl)-5-bicyclo[2.2.1]hept-2-enyl]methanamine hydrochloride
MOLECULAR FORMULA: C8H8Cl7N
MOLECULAR WEIGHT: 366.32682
SMILES: C1C(C2(C(=C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)CN.Cl
Structure:

CAS RN: 54254-79-4
CAS Name: 4-[2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]morpholine iodide
OPENEYE Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]morpholine iodide
IUPAC Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]morpholine iodide
SYSTEMATIC NAME: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]morpholine iodide
MOLECULAR FORMULA: C17H21IN2OS
MOLECULAR WEIGHT: 428.33091
SMILES: C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCOCC3)SC.[I-]
Structure:

CAS RN: 88973-11-9
CAS Name: 1-methyl-2-[2-(4-methyl-1-piperazinyl)-2-(methylthio)ethenyl]quinolin-1-ium iodide
OPENEYE Name: 1-methyl-2-[2-(4-methylpiperazin-1-yl)-2-methylsulfanyl-vinyl]quinolin-1-ium iodide
IUPAC Name: 1-methyl-2-[2-(4-methylpiperazin-1-yl)-2-methylsulfanylethenyl]quinolin-1-ium iodide
SYSTEMATIC NAME: 1-methyl-2-[2-(4-methylpiperazin-1-yl)-2-methylsulfanyl-ethenyl]quinolin-1-ium iodide
MOLECULAR FORMULA: C18H24IN3S
MOLECULAR WEIGHT: 441.37273
SMILES: CN1CCN(CC1)C(=CC2=[N+](C3=CC=CC=C3C=C2)C)SC.[I-]
Structure:

CAS RN: 88973-09-5
CAS Name: 4-[2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]thiomorpholine iodide
OPENEYE Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]thiomorpholine iodide
IUPAC Name: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]thiomorpholine iodide
SYSTEMATIC NAME: 4-[2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]thiomorpholine iodide
MOLECULAR FORMULA: C17H21IN2S2
MOLECULAR WEIGHT: 444.39651
SMILES: C[N+]1=C(C=CC2=CC=CC=C21)C=C(N3CCSCC3)SC.[I-]
Structure:

CAS RN: 69652-33-1
CAS Name: 5-amino-1,3-diazinane-2,4-dione hydrochloride
OPENEYE Name: 5-aminohexahydropyrimidine-2,4-dione hydrochloride
IUPAC Name: 5-amino-1,3-diazinane-2,4-dione hydrochloride
SYSTEMATIC NAME: 5-azanyl-1,3-diazinane-2,4-dione hydrochloride
MOLECULAR FORMULA: C4H8ClN3O2
MOLECULAR WEIGHT: 165.57822
SMILES: C1C(C(=O)NC(=O)N1)N.Cl
Structure:

CAS RN: 66120-38-5
CAS Name: 2-ethenyl-1-prop-2-enylthian-1-ium; trifluoromethanesulfonate
OPENEYE Name: 1-allyl-2-vinyl-tetrahydrothiopyran-1-ium; trifluoromethanesulfonate
IUPAC Name: 2-ethenyl-1-prop-2-enylthian-1-ium; trifluoromethanesulfonate
SYSTEMATIC NAME: 2-ethenyl-1-prop-2-enyl-thian-1-ium; tris(fluoranyl)methanesulfonate
MOLECULAR FORMULA: C11H17F3O3S2
MOLECULAR WEIGHT: 318.37609
SMILES: C=CC[S+]1CCCCC1C=C.C(F)(F)(F)S(=O)(=O)[O-]
Structure:

CAS RN: 79898-14-9
CAS Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[[5-hydroxy-4-(4-methoxy-1-piperidinyl)-6-methyl-2-oxanyl]oxy]-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
OPENEYE Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-4-(4-methoxy-1-piperidyl)-6-methyl-tetrahydropyran-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
IUPAC Name: (7S,9S)-9-acetyl-6,9,11-trihydroxy-7-[5-hydroxy-4-(4-methoxypiperidin-1-yl)-6-methyloxan-2-yl]oxy-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
SYSTEMATIC NAME: (7S,9S)-9-ethanoyl-4-methoxy-7-[4-(4-methoxypiperidin-1-yl)-6-methyl-5-oxidanyl-oxan-2-yl]oxy-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione hydrochloride
MOLECULAR FORMULA: C33H40ClNO11
MOLECULAR WEIGHT: 662.1238
SMILES: CC1C(C(CC(O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)C)O)N6CCC(CC6)OC)O.Cl
Structure:

CAS RN: 85801-96-3
CAS Name: N'-tert-butyl-2-chloro-N-(2-chlorophenyl)-2-propenimidamide hydrochloride
OPENEYE Name: N'-tert-butyl-2-chloro-N-(2-chlorophenyl)prop-2-enamidine hydrochloride
IUPAC Name: N'-tert-butyl-2-chloro-N-(2-chlorophenyl)prop-2-enimidamide hydrochloride
SYSTEMATIC NAME: N'-tert-butyl-2-chloranyl-N-(2-chlorophenyl)prop-2-enimidamide hydrochloride
MOLECULAR FORMULA: C13H17Cl3N2
MOLECULAR WEIGHT: 307.64648
SMILES: CC(C)(C)N=C(C(=C)Cl)NC1=CC=CC=C1Cl.Cl
Structure:

CAS RN: 85801-97-4
CAS Name: N'-tert-butyl-2-chloro-N-(2-methylphenyl)-2-propenimidamide hydrochloride
OPENEYE Name: N'-tert-butyl-2-chloro-N-(o-tolyl)prop-2-enamidine hydrochloride
IUPAC Name: N'-tert-butyl-2-chloro-N-(2-methylphenyl)prop-2-enimidamide hydrochloride
SYSTEMATIC NAME: N'-tert-butyl-2-chloranyl-N-(2-methylphenyl)prop-2-enimidamide hydrochloride
MOLECULAR FORMULA: C14H20Cl2N2
MOLECULAR WEIGHT: 287.228
SMILES: CC1=CC=CC=C1NC(=NC(C)(C)C)C(=C)Cl.Cl
Structure:

CAS RN: 840-98-2
CAS Name: 5-amino-2-benzamidopentanoic acid methyl ester hydrochloride
OPENEYE Name: methyl 5-amino-2-benzamido-pentanoate hydrochloride
IUPAC Name: methyl 5-amino-2-benzamidopentanoate hydrochloride
SYSTEMATIC NAME: methyl 5-azanyl-2-benzamido-pentanoate hydrochloride
MOLECULAR FORMULA: C13H19ClN2O3
MOLECULAR WEIGHT: 286.75456
SMILES: COC(=O)C(CCCN)NC(=O)C1=CC=CC=C1.Cl
Structure:

CAS RN: 62675-68-7
CAS Name: 2-amino-3-[(triphenylmethyl)thio]propanoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-amino-3-tritylsulfanyl-propanoate hydrochloride
IUPAC Name: methyl 2-amino-3-tritylsulfanylpropanoate hydrochloride
SYSTEMATIC NAME: methyl 2-azanyl-3-(triphenylmethyl)sulfanyl-propanoate hydrochloride
MOLECULAR FORMULA: C23H24ClNO2S
MOLECULAR WEIGHT: 413.96016
SMILES: COC(=O)C(CSC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)N.Cl
Structure:

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