CAS RN: 74493-24-6
CAS Name: 1-oxido-1-pentadecylazepan-1-ium
OPENEYE Name: 1-oxido-1-pentadecyl-azepan-1-ium
IUPAC Name: 1-oxido-1-pentadecylazepan-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-pentadecyl-azepan-1-ium
MOLECULAR FORMULA: C21H43NO
MOLECULAR WEIGHT: 325.57222
SMILES: CCCCCCCCCCCCCCC[N+]1(CCCCCC1)[O-]
Structure:
CAS RN: 74493-22-4
CAS Name: 1-oxido-1-tridecylazepan-1-ium
OPENEYE Name: 1-oxido-1-tridecyl-azepan-1-ium
IUPAC Name: 1-oxido-1-tridecylazepan-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-tridecyl-azepan-1-ium
MOLECULAR FORMULA: C19H39NO
MOLECULAR WEIGHT: 297.51906
SMILES: CCCCCCCCCCCCC[N+]1(CCCCCC1)[O-]
Structure:
CAS RN: 77161-28-5
CAS Name: 1-oxido-1-undecylazepan-1-ium
OPENEYE Name: 1-oxido-1-undecyl-azepan-1-ium
IUPAC Name: 1-oxido-1-undecylazepan-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-undecyl-azepan-1-ium
MOLECULAR FORMULA: C17H35NO
MOLECULAR WEIGHT: 269.4659
SMILES: CCCCCCCCCCC[N+]1(CCCCCC1)[O-]
Structure:
CAS RN: 77161-27-4
CAS Name: 1-decyl-1-oxidoazepan-1-ium
OPENEYE Name: 1-decyl-1-oxido-azepan-1-ium
IUPAC Name: 1-decyl-1-oxidoazepan-1-ium
SYSTEMATIC NAME: 1-decyl-1-oxidanidyl-azepan-1-ium
MOLECULAR FORMULA: C16H33NO
MOLECULAR WEIGHT: 255.43932
SMILES: CCCCCCCCCC[N+]1(CCCCCC1)[O-]
Structure:
CAS RN: 77161-26-3
CAS Name: 1-nonyl-1-oxidoazepan-1-ium
OPENEYE Name: 1-nonyl-1-oxido-azepan-1-ium
IUPAC Name: 1-nonyl-1-oxidoazepan-1-ium
SYSTEMATIC NAME: 1-nonyl-1-oxidanidyl-azepan-1-ium
MOLECULAR FORMULA: C15H31NO
MOLECULAR WEIGHT: 241.41274
SMILES: CCCCCCCCC[N+]1(CCCCCC1)[O-]
Structure:
CAS RN: 67046-11-1
CAS Name: 4-oxido-4-pentadecylmorpholin-4-ium
OPENEYE Name: 4-oxido-4-pentadecyl-morpholin-4-ium
IUPAC Name: 4-oxido-4-pentadecylmorpholin-4-ium
SYSTEMATIC NAME: 4-oxidanidyl-4-pentadecyl-morpholin-4-ium
MOLECULAR FORMULA: C19H39NO2
MOLECULAR WEIGHT: 313.51846
SMILES: CCCCCCCCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-10-0
CAS Name: 4-oxido-4-tridecylmorpholin-4-ium
OPENEYE Name: 4-oxido-4-tridecyl-morpholin-4-ium
IUPAC Name: 4-oxido-4-tridecylmorpholin-4-ium
SYSTEMATIC NAME: 4-oxidanidyl-4-tridecyl-morpholin-4-ium
MOLECULAR FORMULA: C17H35NO2
MOLECULAR WEIGHT: 285.4653
SMILES: CCCCCCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 64651-38-3
CAS Name: 4-oxido-4-undecylmorpholin-4-ium
OPENEYE Name: 4-oxido-4-undecyl-morpholin-4-ium
IUPAC Name: 4-oxido-4-undecylmorpholin-4-ium
SYSTEMATIC NAME: 4-oxidanidyl-4-undecyl-morpholin-4-ium
MOLECULAR FORMULA: C15H31NO2
MOLECULAR WEIGHT: 257.41214
SMILES: CCCCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 13178-41-1
CAS Name: 4-decyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-decyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-decyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-decyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C14H29NO2
MOLECULAR WEIGHT: 243.38556
SMILES: CCCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-09-7
CAS Name: 4-nonyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-nonyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-nonyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-nonyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C13H27NO2
MOLECULAR WEIGHT: 229.35898
SMILES: CCCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-08-6
CAS Name: 4-octyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-octyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-octyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-octyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C12H25NO2
MOLECULAR WEIGHT: 215.3324
SMILES: CCCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-07-5
CAS Name: 4-heptyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-heptyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-heptyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-heptyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C11H23NO2
MOLECULAR WEIGHT: 201.30582
SMILES: CCCCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-06-4
CAS Name: 4-oxido-4-pentylmorpholin-4-ium
OPENEYE Name: 4-oxido-4-pentyl-morpholin-4-ium
IUPAC Name: 4-oxido-4-pentylmorpholin-4-ium
SYSTEMATIC NAME: 4-oxidanidyl-4-pentyl-morpholin-4-ium
MOLECULAR FORMULA: C9H19NO2
MOLECULAR WEIGHT: 173.25266
SMILES: CCCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-05-3
CAS Name: 4-butyl-4-oxidomorpholin-4-ium
OPENEYE Name: 4-butyl-4-oxido-morpholin-4-ium
IUPAC Name: 4-butyl-4-oxidomorpholin-4-ium
SYSTEMATIC NAME: 4-butyl-4-oxidanidyl-morpholin-4-ium
MOLECULAR FORMULA: C8H17NO2
MOLECULAR WEIGHT: 159.22608
SMILES: CCCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 67046-04-2
CAS Name: 4-oxido-4-propylmorpholin-4-ium
OPENEYE Name: 4-oxido-4-propyl-morpholin-4-ium
IUPAC Name: 4-oxido-4-propylmorpholin-4-ium
SYSTEMATIC NAME: 4-oxidanidyl-4-propyl-morpholin-4-ium
MOLECULAR FORMULA: C7H15NO2
MOLECULAR WEIGHT: 145.1995
SMILES: CCC[N+]1(CCOCC1)[O-]
Structure:
CAS RN: 53669-71-9
CAS Name: 1-oxido-1-tetradecylpiperidin-1-ium
OPENEYE Name: 1-oxido-1-tetradecyl-piperidin-1-ium
IUPAC Name: 1-oxido-1-tetradecylpiperidin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-tetradecyl-piperidin-1-ium
MOLECULAR FORMULA: C19H39NO
MOLECULAR WEIGHT: 297.51906
SMILES: CCCCCCCCCCCCCC[N+]1(CCCCC1)[O-]
Structure:
CAS RN: 74493-21-3
CAS Name: 1-oxido-1-tridecylpiperidin-1-ium
OPENEYE Name: 1-oxido-1-tridecyl-piperidin-1-ium
IUPAC Name: 1-oxido-1-tridecylpiperidin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-tridecyl-piperidin-1-ium
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCC[N+]1(CCCCC1)[O-]
Structure:
CAS RN: 74493-17-7
CAS Name: 1-octyl-1-oxidopiperidin-1-ium
OPENEYE Name: 1-octyl-1-oxido-piperidin-1-ium
IUPAC Name: 1-octyl-1-oxidopiperidin-1-ium
SYSTEMATIC NAME: 1-octyl-1-oxidanidyl-piperidin-1-ium
MOLECULAR FORMULA: C13H27NO
MOLECULAR WEIGHT: 213.35958
SMILES: CCCCCCCC[N+]1(CCCCC1)[O-]
Structure:
CAS RN: 75567-22-5
CAS Name: 1-octadecyl-1-oxidopyrrolidin-1-ium
OPENEYE Name: 1-octadecyl-1-oxido-pyrrolidin-1-ium
IUPAC Name: 1-octadecyl-1-oxidopyrrolidin-1-ium
SYSTEMATIC NAME: 1-octadecyl-1-oxidanidyl-pyrrolidin-1-ium
MOLECULAR FORMULA: C22H45NO
MOLECULAR WEIGHT: 339.5988
SMILES: CCCCCCCCCCCCCCCCCC[N+]1(CCCC1)[O-]
Structure:
CAS RN: 74493-16-6
CAS Name: 1-hexadecyl-1-oxidopyrrolidin-1-ium
OPENEYE Name: 1-hexadecyl-1-oxido-pyrrolidin-1-ium
IUPAC Name: 1-hexadecyl-1-oxidopyrrolidin-1-ium
SYSTEMATIC NAME: 1-hexadecyl-1-oxidanidyl-pyrrolidin-1-ium
MOLECULAR FORMULA: C20H41NO
MOLECULAR WEIGHT: 311.54564
SMILES: CCCCCCCCCCCCCCCC[N+]1(CCCC1)[O-]
Structure:
CAS RN: 74493-15-5
CAS Name: 1-oxido-1-tetradecylpyrrolidin-1-ium
OPENEYE Name: 1-oxido-1-tetradecyl-pyrrolidin-1-ium
IUPAC Name: 1-oxido-1-tetradecylpyrrolidin-1-ium
SYSTEMATIC NAME: 1-oxidanidyl-1-tetradecyl-pyrrolidin-1-ium
MOLECULAR FORMULA: C18H37NO
MOLECULAR WEIGHT: 283.49248
SMILES: CCCCCCCCCCCCCC[N+]1(CCCC1)[O-]
Structure:
CAS RN: 64651-36-1
CAS Name: 1-dodecyl-1-oxidopyrrolidin-1-ium
OPENEYE Name: 1-dodecyl-1-oxido-pyrrolidin-1-ium
IUPAC Name: 1-dodecyl-1-oxidopyrrolidin-1-ium
SYSTEMATIC NAME: 1-dodecyl-1-oxidanidyl-pyrrolidin-1-ium
MOLECULAR FORMULA: C16H33NO
MOLECULAR WEIGHT: 255.43932
SMILES: CCCCCCCCCCCC[N+]1(CCCC1)[O-]
Structure:
CAS RN: 87072-72-8
CAS Name: N-(4-chlorophenyl)azo-N-methylacetamide
OPENEYE Name: N-(4-chlorophenyl)azo-N-methyl-acetamide
IUPAC Name: N-[(4-chlorophenyl)diazenyl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-chlorophenyl)diazenyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C9H10ClN3O
MOLECULAR WEIGHT: 211.6482
SMILES: CC(=O)N(C)N=NC1=CC=C(C=C1)Cl
Structure:
CAS RN: 87072-65-9
CAS Name: N-(4-fluorophenyl)azo-N-methylacetamide
OPENEYE Name: N-(4-fluorophenyl)azo-N-methyl-acetamide
IUPAC Name: N-[(4-fluorophenyl)diazenyl]-N-methylacetamide
SYSTEMATIC NAME: N-[(4-fluorophenyl)diazenyl]-N-methyl-ethanamide
MOLECULAR FORMULA: C9H10FN3O
MOLECULAR WEIGHT: 195.193603
SMILES: CC(=O)N(C)N=NC1=CC=C(C=C1)F
Structure:
CAS RN: 66869-93-0
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H18N8O4
MOLECULAR WEIGHT: 422.39742
SMILES: CN1C2=C(C(=O)N(C1=O)C)N3C4=C(N=C(N3N2)C5=CC=CC=C5)N(C(=O)N(C4=O)C)C
Structure:
CAS RN: 25477-74-1
CAS Name: 2,6-diamino-5-[(phenylmethylene)amino]-1H-pyrimidin-4-one
OPENEYE Name: 2,6-diamino-5-(benzylideneamino)-1H-pyrimidin-4-one
IUPAC Name: 2,6-diamino-5-(benzylideneamino)-1H-pyrimidin-4-one
SYSTEMATIC NAME: 2,6-bis(azanyl)-5-[(phenylmethylidene)amino]-1H-pyrimidin-4-one
MOLECULAR FORMULA: C11H11N5O
MOLECULAR WEIGHT: 229.23794
SMILES: C1=CC=C(C=C1)C=NC2=C(NC(=NC2=O)N)N
Structure:
CAS RN: 56377-67-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C19H28O6
MOLECULAR WEIGHT: 352.42202
SMILES: CC1CC2C(C(CC3(CCC1(O3)O)C)OC(=O)C(C)C)C(=C)C(=O)O2
Structure:
CAS RN: 71641-11-7
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H32O5
MOLECULAR WEIGHT: 376.48648
SMILES: CC1C(=O)CC2C(C(CCC2(C13CCC4(O3)COC=C4)C)OC(=O)C)(C)C
Structure:
CAS RN: 71641-12-8
CAS Name: acetic acid [5-[2-(3-furanyl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] ester
OPENEYE Name: [5-[2-(3-furyl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
IUPAC Name: [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxo-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] acetate
SYSTEMATIC NAME: [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-7-oxidanylidene-3,4,8,8a-tetrahydro-2H-naphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C22H30O4
MOLECULAR WEIGHT: 358.4712
SMILES: CC1=C(C2(CCC(C(C2CC1=O)(C)C)OC(=O)C)C)CCC3=COC=C3
Structure:
CAS RN: 71698-14-1
CAS Name: acetic acid [5-[2-(3-furanyl)ethyl]-5-hydroxy-1,1,4a,6-tetramethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-2-yl] ester
OPENEYE Name: [5-[2-(3-furyl)ethyl]-5-hydroxy-1,1,4a,6-tetramethyl-7-oxo-decalin-2-yl] acetate
IUPAC Name: [5-[2-(furan-3-yl)ethyl]-5-hydroxy-1,1,4a,6-tetramethyl-7-oxo-2,3,4,6,8,8a-hexahydronaphthalen-2-yl] acetate
SYSTEMATIC NAME: [5-[2-(furan-3-yl)ethyl]-1,1,4a,6-tetramethyl-5-oxidanyl-7-oxidanylidene-2,3,4,6,8,8a-hexahydronaphthalen-2-yl] ethanoate
MOLECULAR FORMULA: C22H32O5
MOLECULAR WEIGHT: 376.48648
SMILES: CC1C(=O)CC2C(C(CCC2(C1(CCC3=COC=C3)O)C)OC(=O)C)(C)C
Structure:
CAS RN: 36883-11-1
CAS Name: 3-methyl-2-butenoic acid [1-(5,8-dihydroxy-1,4-dioxo-2-naphthalenyl)-4-hydroxy-4-methylpentyl] ester
OPENEYE Name: [1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-hydroxy-4-methyl-pentyl] 3-methylbut-2-enoate
IUPAC Name: [1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-hydroxy-4-methylpentyl] 3-methylbut-2-enoate
SYSTEMATIC NAME: [1-[5,8-bis(oxidanyl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-4-oxidanyl-pentyl] 3-methylbut-2-enoate
MOLECULAR FORMULA: C21H24O7
MOLECULAR WEIGHT: 388.41106
SMILES: CC(=CC(=O)OC(CCC(C)(C)O)C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)C
Structure:
CAS RN: 58942-17-9
CAS Name: 5,6-dihydroxy-2-(4-methoxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyl-2-oxanyl)oxy]-1-benzopyran-4-one
OPENEYE Name: 5,6-dihydroxy-2-(4-methoxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxy]chromen-4-one
IUPAC Name: 5,6-dihydroxy-2-(4-methoxyphenyl)-3,7-bis[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]chromen-4-one
SYSTEMATIC NAME: 2-(4-methoxyphenyl)-3,7-bis[[6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl]oxy]-5,6-bis(oxidanyl)chromen-4-one
MOLECULAR FORMULA: C28H32O15
MOLECULAR WEIGHT: 608.54468
SMILES: CC1C(C(C(C(O1)OC2=C(C(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)O)C5=CC=C(C=C5)OC)O)O)O)O)O
Structure:
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