CAS RN: 6033-32-5
CAS Name: (2S)-2-ammonio-6-hydroxyhexanoate
OPENEYE Name: (2S)-2-azaniumyl-6-hydroxy-hexanoate
IUPAC Name: (2S)-2-azaniumyl-6-hydroxyhexanoate
SYSTEMATIC NAME: (2S)-2-azaniumyl-6-oxidanyl-hexanoate
MOLECULAR FORMULA: C6H13NO3
MOLECULAR WEIGHT: 147.17232
SMILES: C(CCO)C[C@@H](C(=O)[O-])[NH3+]
Structure:
CAS RN: 4559-79-9
CAS Name: [(E)-4-(dimethylammonio)but-2-enyl]-dimethylammonium
OPENEYE Name: [(E)-4-(dimethylammonio)but-2-enyl]-dimethyl-ammonium
IUPAC Name: [(E)-4-(dimethylazaniumyl)but-2-enyl]-dimethylazanium
SYSTEMATIC NAME: [(E)-4-(dimethylazaniumyl)but-2-enyl]-dimethyl-azanium
MOLECULAR FORMULA: C8H20N2+2
MOLECULAR WEIGHT: 144.2578
SMILES: C[NH+](C)C/C=C/C[NH+](C)C
Structure:
CAS RN: 6628-00-8
CAS Name: cyclohexyl(prop-2-enyl)ammonium
OPENEYE Name: allyl(cyclohexyl)ammonium
IUPAC Name: cyclohexyl(prop-2-enyl)azanium
SYSTEMATIC NAME: cyclohexyl(prop-2-enyl)azanium
MOLECULAR FORMULA: C9H18N+
MOLECULAR WEIGHT: 140.24592
SMILES: C=CC[NH2+]C1CCCCC1
Structure:
CAS RN: 6939-23-7
CAS Name: 2-(tert-butylammonio)acetate
OPENEYE Name: 2-(tert-butylammonio)acetate
IUPAC Name: 2-(tert-butylazaniumyl)acetate
SYSTEMATIC NAME: 2-(tert-butylazaniumyl)ethanoate
MOLECULAR FORMULA: C6H13NO2
MOLECULAR WEIGHT: 131.17292
SMILES: CC(C)(C)[NH2+]CC(=O)[O-]
Structure:
CAS RN: 222548-10-9
CAS Name: 3,5-dinitro-2-pyridinolate
OPENEYE Name: 3,5-dinitropyridin-2-olate
IUPAC Name: 3,5-dinitropyridin-2-olate
SYSTEMATIC NAME: 3,5-dinitropyridin-2-olate
MOLECULAR FORMULA: C5H2N3O5-
MOLECULAR WEIGHT: 184.08648
SMILES: C1=C(C=NC(=C1[N+](=O)[O-])[O-])[N+](=O)[O-]
Structure:
CAS RN: 94022-07-8
CAS Name: 2-methylpropanoic acid [(3R)-3,7-dimethylocta-1,6-dien-3-yl] ester
OPENEYE Name: [(1R)-1,5-dimethyl-1-vinyl-hex-4-enyl] 2-methylpropanoate
IUPAC Name: [(3R)-3,7-dimethylocta-1,6-dien-3-yl] 2-methylpropanoate
SYSTEMATIC NAME: [(3R)-3,7-dimethylocta-1,6-dien-3-yl] 2-methylpropanoate
MOLECULAR FORMULA: C14H24O2
MOLECULAR WEIGHT: 224.33916
SMILES: CC(C)C(=O)O[C@](C)(CCC=C(C)C)C=C
Structure:
CAS RN: 3074-43-9
CAS Name: 1-methyl-4-phenylpiperazin-1-ium
OPENEYE Name: 1-methyl-4-phenyl-piperazin-1-ium
IUPAC Name: 1-methyl-4-phenylpiperazin-1-ium
SYSTEMATIC NAME: 1-methyl-4-phenyl-piperazin-1-ium
MOLECULAR FORMULA: C11H17N2+
MOLECULAR WEIGHT: 177.26608
SMILES: C[NH+]1CCN(CC1)C2=CC=CC=C2
Structure:
CAS RN: 71648-17-4
CAS Name: (E)-2-butenoic acid [(2Z)-3,7-dimethylocta-2,6-dienyl] ester
OPENEYE Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
IUPAC Name: [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
SYSTEMATIC NAME: [(2Z)-3,7-dimethylocta-2,6-dienyl] (E)-but-2-enoate
MOLECULAR FORMULA: C14H22O2
MOLECULAR WEIGHT: 222.32328
SMILES: C/C=C/C(=O)OC/C=C(/C)\CCC=C(C)C
Structure:
CAS RN: 6752-33-6
CAS Name: hexyl-bis(2-hydroxyethyl)ammonium
OPENEYE Name: hexyl-bis(2-hydroxyethyl)ammonium
IUPAC Name: hexyl-bis(2-hydroxyethyl)azanium
SYSTEMATIC NAME: hexyl-bis(2-hydroxyethyl)azanium
MOLECULAR FORMULA: C10H24NO2+
MOLECULAR WEIGHT: 190.30306
SMILES: CCCCCC[NH+](CCO)CCO
Structure:
CAS RN: 6936-48-7
CAS Name: (E)-4-(methylamino)-4-oxo-2-butenoate
OPENEYE Name: (E)-4-(methylamino)-4-oxo-but-2-enoate
IUPAC Name: (E)-4-(methylamino)-4-oxobut-2-enoate
SYSTEMATIC NAME: (E)-4-(methylamino)-4-oxidanylidene-but-2-enoate
MOLECULAR FORMULA: C5H6NO3-
MOLECULAR WEIGHT: 128.10604
SMILES: CNC(=O)/C=C/C(=O)[O-]
Structure:
CAS RN: 5715-76-4
CAS Name: 4-[(3-carboxylato-4-oxo-1-naphthalenylidene)-phenylmethyl]-1-hydroxy-2-naphthalenecarboxylate
OPENEYE Name: 4-[(3-carboxylato-4-oxo-1-naphthylidene)-phenyl-methyl]-1-hydroxy-naphthalene-2-carboxylate
IUPAC Name: 4-[(3-carboxylato-4-oxonaphthalen-1-ylidene)-phenylmethyl]-1-hydroxynaphthalene-2-carboxylate
SYSTEMATIC NAME: 4-[(3-carboxylato-4-oxidanylidene-naphthalen-1-ylidene)-phenyl-methyl]-1-oxidanyl-naphthalene-2-carboxylate
MOLECULAR FORMULA: C29H16O6-2
MOLECULAR WEIGHT: 460.43374
SMILES: C1=CC=C(C=C1)C(=C2C=C(C(=O)C3=CC=CC=C32)C(=O)[O-])C4=CC(=C(C5=CC=CC=C54)O)C(=O)[O-]
Structure:
CAS RN: 6567-35-7
CAS Name: 3-bromo-5-isoxazolecarboxylate
OPENEYE Name: 3-bromoisoxazole-5-carboxylate
IUPAC Name: 3-bromo-1,2-oxazole-5-carboxylate
SYSTEMATIC NAME: 3-bromanyl-1,2-oxazole-5-carboxylate
MOLECULAR FORMULA: C4HBrNO3-
MOLECULAR WEIGHT: 190.95964
SMILES: C1=C(ON=C1Br)C(=O)[O-]
Structure:
CAS RN: 5968-90-1
CAS Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-2-oxolanyl]-6-oxo-3H-purin-2-olate
OPENEYE Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-oxo-3H-purin-2-olate
IUPAC Name: 9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-3H-purin-2-olate
SYSTEMATIC NAME: 9-[(2R,3R,4S,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-6-oxidanylidene-3H-purin-2-olate
MOLECULAR FORMULA: C10H11N4O6-
MOLECULAR WEIGHT: 283.21754
SMILES: C1=NC2=C(N1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)NC(=NC2=O)[O-]
Structure:
CAS RN: 37910-65-9
CAS Name: (1R,2S)-2-ammonio-1-cyclopentanecarboxylate
OPENEYE Name: (1R,2S)-2-azaniumylcyclopentanecarboxylate
IUPAC Name: (1R,2S)-2-azaniumylcyclopentane-1-carboxylate
SYSTEMATIC NAME: (1R,2S)-2-azaniumylcyclopentane-1-carboxylate
MOLECULAR FORMULA: C6H11NO2
MOLECULAR WEIGHT: 129.15704
SMILES: C1C[C@H]([C@H](C1)[NH3+])C(=O)[O-]
Structure:
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