CAS RN: 148019-91-4
CAS Name: N8,N8,1-trimethylpurine-6,8-diamine
OPENEYE Name: N8,N8,1-trimethylpurine-6,8-diamine
IUPAC Name: 8-N,8-N,1-trimethylpurine-6,8-diamine
SYSTEMATIC NAME: N8,N8,1-trimethylpurine-6,8-diamine
MOLECULAR FORMULA: C8H12N6
MOLECULAR WEIGHT: 192.22108
SMILES: CN1C=NC2=NC(=NC2=C1N)N(C)C
Structure:
CAS RN: 147264-13-9
CAS Name: 1-[[2,2-dimethyl-4-(2-naphthalenyl)-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-3-(methylamino)-2-propanol
OPENEYE Name: 1-[2,2-dimethyl-4-(2-naphthyl)chroman-7-yl]oxy-3-(methylamino)propan-2-ol
IUPAC Name: 1-[(2,2-dimethyl-4-naphthalen-2-yl-3,4-dihydrochromen-7-yl)oxy]-3-(methylamino)propan-2-ol
SYSTEMATIC NAME: 1-[(2,2-dimethyl-4-naphthalen-2-yl-3,4-dihydrochromen-7-yl)oxy]-3-(methylamino)propan-2-ol
MOLECULAR FORMULA: C25H29NO3
MOLECULAR WEIGHT: 391.50266
SMILES: CC1(CC(C2=C(O1)C=C(C=C2)OCC(CNC)O)C3=CC4=CC=CC=C4C=C3)C
Structure:
CAS RN: 147241-83-6
CAS Name: 1-(dimethylamino)-3-[[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-7-yl]oxy]-2-propanol
OPENEYE Name: 1-(dimethylamino)-3-[4-(4-fluorophenyl)-2,2-dimethyl-chroman-7-yl]oxy-propan-2-ol
IUPAC Name: 1-(dimethylamino)-3-[[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]propan-2-ol
SYSTEMATIC NAME: 1-(dimethylamino)-3-[[4-(4-fluorophenyl)-2,2-dimethyl-3,4-dihydrochromen-7-yl]oxy]propan-2-ol
MOLECULAR FORMULA: C22H28FNO3
MOLECULAR WEIGHT: 373.461023
SMILES: CC1(CC(C2=C(O1)C=C(C=C2)OCC(CN(C)C)O)C3=CC=C(C=C3)F)C
Structure:
CAS RN: 142816-72-6
CAS Name: (3Z,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-3,5-bis[[4-(diethylamino)phenyl]methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-3,5-bis[[4-(diethylamino)phenyl]methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C29H40IN3O
MOLECULAR WEIGHT: 573.55187
SMILES: CCN(CC)C1=CC=C(C=C1)/C=C/2\C[N+](C/C(=C/C3=CC=C(C=C3)N(CC)CC)/C2=O)(C)C.[I-]
Structure:
CAS RN: 142816-71-5
CAS Name: (3Z,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-3,5-bis[[4-(dimethylamino)phenyl]methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C25H32IN3O
MOLECULAR WEIGHT: 517.44555
SMILES: CN(C)C1=CC=C(C=C1)/C=C/2\C[N+](C/C(=C/C3=CC=C(C=C3)N(C)C)/C2=O)(C)C.[I-]
Structure:
CAS RN: 142808-59-1
CAS Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-1,1-dimethyl-3,5-bis[(E)-3-phenylprop-2-enylidene]piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C25H26INO
MOLECULAR WEIGHT: 483.38451
SMILES: C[N+]1(C/C(=C\C=C\C2=CC=CC=C2)/C(=O)/C(=C\C=C\C3=CC=CC=C3)/C1)C.[I-]
Structure:
CAS RN: 142808-58-0
CAS Name: (3Z,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-3,5-bis[(4-fluorophenyl)methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-3,5-bis[(4-fluorophenyl)methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C21H20F2INO
MOLECULAR WEIGHT: 467.290876
SMILES: C[N+]1(C/C(=C\C2=CC=C(C=C2)F)/C(=O)/C(=C\C3=CC=C(C=C3)F)/C1)C.[I-]
Structure:
CAS RN: 142808-57-9
CAS Name: (3Z,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-3,5-bis[(4-hydroxyphenyl)methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-3,5-bis[(4-hydroxyphenyl)methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C21H22INO3
MOLECULAR WEIGHT: 463.30875
SMILES: C[N+]1(C/C(=C\C2=CC=C(C=C2)O)/C(=O)/C(=C\C3=CC=C(C=C3)O)/C1)C.[I-]
Structure:
CAS RN: 142808-56-8
CAS Name: (3Z,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethyl-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-3,5-bis[(4-methoxyphenyl)methylene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethylpiperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-3,5-bis[(4-methoxyphenyl)methylidene]-1,1-dimethyl-piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C23H26INO3
MOLECULAR WEIGHT: 491.36191
SMILES: C[N+]1(C/C(=C\C2=CC=C(C=C2)OC)/C(=O)/C(=C\C3=CC=C(C=C3)OC)/C1)C.[I-]
Structure:
CAS RN: 142808-55-7
CAS Name: (3Z,5E)-1,1-dimethyl-3,5-bis[[4-(methylthio)phenyl]methylidene]-4-piperidin-1-iumone iodide
OPENEYE Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylene]piperidin-1-ium-4-one iodide
IUPAC Name: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one iodide
SYSTEMATIC NAME: (3Z,5E)-1,1-dimethyl-3,5-bis[(4-methylsulfanylphenyl)methylidene]piperidin-1-ium-4-one iodide
MOLECULAR FORMULA: C23H26INOS2
MOLECULAR WEIGHT: 523.49311
SMILES: C[N+]1(C/C(=C\C2=CC=C(C=C2)SC)/C(=O)/C(=C\C3=CC=C(C=C3)SC)/C1)C.[I-]
Structure:
CAS RN: 142115-47-7
CAS Name: acetic acid [2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenyl] ester
OPENEYE Name: [2,6-dimethyl-4-[(E)-2-(2-thienyl)vinyl]phenyl] acetate
IUPAC Name: [2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenyl] acetate
SYSTEMATIC NAME: [2,6-dimethyl-4-[(E)-2-thiophen-2-ylethenyl]phenyl] ethanoate
MOLECULAR FORMULA: C16H16O2S
MOLECULAR WEIGHT: 272.36204
SMILES: CC1=CC(=CC(=C1OC(=O)C)C)/C=C/C2=CC=CS2
Structure:
CAS RN: 131154-74-0
CAS Name: (Z)-13-docosenoic acid tridecyl ester
OPENEYE Name: tridecyl (Z)-docos-13-enoate
IUPAC Name: tridecyl (Z)-docos-13-enoate
SYSTEMATIC NAME: tridecyl (Z)-docos-13-enoate
MOLECULAR FORMULA: C35H68O2
MOLECULAR WEIGHT: 520.91322
SMILES: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
Structure:
CAS RN: 122423-76-1
CAS Name: isocyanic acid dodecaborate
OPENEYE Name: isocyanic acid dodecaborate
IUPAC Name: isocyanic acid dodecaborate
SYSTEMATIC NAME: isocyanic acid dodecaborate
MOLECULAR FORMULA: CHB12NO37-36
MOLECULAR WEIGHT: 748.73514
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].C(=N)=O
Structure:
CAS RN: 122423-75-0
CAS Name: N,N-dimethylmethanamine; isocyanic acid; decaborate
OPENEYE Name: N,N-dimethylmethanamine; isocyanic acid; decaborate
IUPAC Name: N,N-dimethylmethanamine; isocyanic acid; decaborate
SYSTEMATIC NAME: N,N-dimethylmethanamine; isocyanic acid; decaborate
MOLECULAR FORMULA: C4H10B10N2O31-30
MOLECULAR WEIGHT: 690.227
SMILES: B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].B([O-])([O-])[O-].CN(C)C.C(=N)=O
Structure:
CAS RN: 115724-27-1
CAS Name: acetic acid (2-tert-butyl-4-methylcyclohexyl) ester
OPENEYE Name: (2-tert-butyl-4-methyl-cyclohexyl) acetate
IUPAC Name: (2-tert-butyl-4-methylcyclohexyl) acetate
SYSTEMATIC NAME: (2-tert-butyl-4-methyl-cyclohexyl) ethanoate
MOLECULAR FORMULA: C13H24O2
MOLECULAR WEIGHT: 212.32846
SMILES: CC1CCC(C(C1)C(C)(C)C)OC(=O)C
Structure:
CAS RN: 104568-67-4
CAS Name: 3-pyridinecarboxylic acid [2-[2-[3,4-dihydropyridin-3-yl(oxo)methoxy]ethyl]-2,5,7,8-tetramethyl-1-benzopyran-6-yl] ester
OPENEYE Name: [2-[2-(3,4-dihydropyridine-3-carbonyloxy)ethyl]-2,5,7,8-tetramethyl-chromen-6-yl] pyridine-3-carboxylate
IUPAC Name: [2-[2-(3,4-dihydropyridine-3-carbonyloxy)ethyl]-2,5,7,8-tetramethylchromen-6-yl] pyridine-3-carboxylate
SYSTEMATIC NAME: [2-[2-(3,4-dihydropyridin-3-ylcarbonyloxy)ethyl]-2,5,7,8-tetramethyl-chromen-6-yl] pyridine-3-carboxylate
MOLECULAR FORMULA: C27H28N2O5
MOLECULAR WEIGHT: 460.52162
SMILES: CC1=C2C(=C(C(=C1C)OC(=O)C3=CN=CC=C3)C)C=CC(O2)(C)CCOC(=O)C4CC=CN=C4
Structure:
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