CAS RN: 42508-60-1
CAS Name: 1-(1-pyridin-1-iumyl)-2-propanone
OPENEYE Name: 1-pyridin-1-ium-1-ylpropan-2-one
IUPAC Name: 1-pyridin-1-ium-1-ylpropan-2-one
SYSTEMATIC NAME: 1-pyridin-1-ium-1-ylpropan-2-one
MOLECULAR FORMULA: C8H10NO+
MOLECULAR WEIGHT: 136.1711
SMILES: CC(=O)C[N+]1=CC=CC=C1
Structure:
CAS RN: 6285-64-9
CAS Name: 3-amino-3-imino-2-phenyldiazenylpropanamide
OPENEYE Name: 3-amino-3-imino-2-phenylazo-propanamide
IUPAC Name: 3-amino-3-imino-2-phenyldiazenylpropanamide
SYSTEMATIC NAME: 3-azanyl-3-azanylidene-2-phenyldiazenyl-propanamide
MOLECULAR FORMULA: C9H11N5O
MOLECULAR WEIGHT: 205.21654
SMILES: C1=CC=C(C=C1)N=NC(C(=N)N)C(=O)N
Structure:
CAS RN: 1089-31-2
CAS Name: N-(phenylmethyl)-2-[(phenylmethyl)amino]acetamide
OPENEYE Name: N-benzyl-2-(benzylamino)acetamide
IUPAC Name: N-benzyl-2-(benzylamino)acetamide
SYSTEMATIC NAME: N-(phenylmethyl)-2-[(phenylmethyl)amino]ethanamide
MOLECULAR FORMULA: C16H18N2O
MOLECULAR WEIGHT: 254.32692
SMILES: C1=CC=C(C=C1)CNCC(=O)NCC2=CC=CC=C2
Structure:
CAS RN: 5422-90-2
CAS Name: 1-[3-[(2,5-dichlorophenyl)thio]propyl]piperazine
OPENEYE Name: 1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine
IUPAC Name: 1-[3-(2,5-dichlorophenyl)sulfanylpropyl]piperazine
SYSTEMATIC NAME: 1-[3-[2,5-bis(chloranyl)phenyl]sulfanylpropyl]piperazine
MOLECULAR FORMULA: C13H18Cl2N2S
MOLECULAR WEIGHT: 305.26642
SMILES: C1CN(CCN1)CCCSC2=C(C=CC(=C2)Cl)Cl
Structure:
CAS RN: 5422-86-6
CAS Name: [5-(cyclohexylamino)-5-oxo-4,4-diphenylpentan-2-yl]-trimethylammonium
OPENEYE Name: [4-(cyclohexylamino)-1-methyl-4-oxo-3,3-diphenyl-butyl]-trimethyl-ammonium
IUPAC Name: [5-(cyclohexylamino)-5-oxo-4,4-diphenylpentan-2-yl]-trimethylazanium
SYSTEMATIC NAME: [5-(cyclohexylamino)-5-oxidanylidene-4,4-diphenyl-pentan-2-yl]-trimethyl-azanium
MOLECULAR FORMULA: C26H37N2O+
MOLECULAR WEIGHT: 393.58478
SMILES: CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)NC3CCCCC3)[N+](C)(C)C
Structure:
CAS RN: 6285-48-9
CAS Name: [5-(butylamino)-5-oxo-4,4-diphenylpentan-2-yl]-trimethylammonium
OPENEYE Name: [4-(butylamino)-1-methyl-4-oxo-3,3-diphenyl-butyl]-trimethyl-ammonium
IUPAC Name: [5-(butylamino)-5-oxo-4,4-diphenylpentan-2-yl]-trimethylazanium
SYSTEMATIC NAME: [5-(butylamino)-5-oxidanylidene-4,4-diphenyl-pentan-2-yl]-trimethyl-azanium
MOLECULAR FORMULA: C24H35N2O+
MOLECULAR WEIGHT: 367.5475
SMILES: CCCCNC(=O)C(CC(C)[N+](C)(C)C)(C1=CC=CC=C1)C2=CC=CC=C2
Structure:
CAS RN: 5400-93-1
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C13H19N4+
MOLECULAR WEIGHT: 231.31676
SMILES: C1N2CN3CN1C[N+](C2)(C3)CC4=CC=CC=C4
Structure:
CAS RN: 5450-63-5
CAS Name: 2,4-diphenyl-1H-1,5-benzodiazepine
OPENEYE Name: 2,4-diphenyl-1H-1,5-benzodiazepine
IUPAC Name: 2,4-diphenyl-1H-1,5-benzodiazepine
SYSTEMATIC NAME: 2,4-diphenyl-1H-1,5-benzodiazepine
MOLECULAR FORMULA: C21H16N2
MOLECULAR WEIGHT: 296.36514
SMILES: C1=CC=C(C=C1)C2=CC(=NC3=CC=CC=C3N2)C4=CC=CC=C4
Structure:
CAS RN: 6286-55-1
CAS Name: 7,8-dimethoxy-2,4-dimethyl-1H-1,5-benzodiazepine
OPENEYE Name: 7,8-dimethoxy-2,4-dimethyl-1H-1,5-benzodiazepine
IUPAC Name: 7,8-dimethoxy-2,4-dimethyl-1H-1,5-benzodiazepine
SYSTEMATIC NAME: 7,8-dimethoxy-2,4-dimethyl-1H-1,5-benzodiazepine
MOLECULAR FORMULA: C13H16N2O2
MOLECULAR WEIGHT: 232.27834
SMILES: CC1=CC(=NC2=CC(=C(C=C2N1)OC)OC)C
Structure:
CAS RN: 6286-17-5
CAS Name: 5-[4,5-dimethyl-2-(4-nitrophenyl)azoanilino]pentane-1,2,3,4-tetrol
OPENEYE Name: 5-[4,5-dimethyl-2-(4-nitrophenyl)azo-anilino]pentane-1,2,3,4-tetrol
IUPAC Name: 5-[4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]anilino]pentane-1,2,3,4-tetrol
SYSTEMATIC NAME: 5-[[4,5-dimethyl-2-[(4-nitrophenyl)diazenyl]phenyl]amino]pentane-1,2,3,4-tetrol
MOLECULAR FORMULA: C19H24N4O6
MOLECULAR WEIGHT: 404.41706
SMILES: CC1=CC(=C(C=C1C)N=NC2=CC=C(C=C2)[N+](=O)[O-])NCC(C(C(CO)O)O)O
Structure:
CAS RN: 6286-09-5
CAS Name: N,N'-bis(6-methoxy-2-methyl-4-quinolinyl)nonane-1,9-diamine
OPENEYE Name: N,N'-bis(6-methoxy-2-methyl-4-quinolyl)nonane-1,9-diamine
IUPAC Name: N,N'-bis(6-methoxy-2-methylquinolin-4-yl)nonane-1,9-diamine
SYSTEMATIC NAME: N,N'-bis(6-methoxy-2-methyl-quinolin-4-yl)nonane-1,9-diamine
MOLECULAR FORMULA: C31H40N4O2
MOLECULAR WEIGHT: 500.6749
SMILES: CC1=NC2=C(C=C(C=C2)OC)C(=C1)NCCCCCCCCCNC3=CC(=NC4=C3C=C(C=C4)OC)C
Structure:
CAS RN: 5450-58-8
CAS Name: 2-acetyloxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-2-butanesulfonic acid
OPENEYE Name: 2-acetoxyethyl(trimethyl)ammonium; 1,4-bis(2-ethylhexoxy)-1,4-dioxo-butane-2-sulfonic acid
IUPAC Name: 2-acetyloxyethyl(trimethyl)azanium; 1,4-bis(2-ethylhexoxy)-1,4-dioxobutane-2-sulfonic acid
SYSTEMATIC NAME: 2-acetyloxyethyl(trimethyl)azanium; 1,4-bis(2-ethylhexoxy)-1,4-bis(oxidanylidene)butane-2-sulfonic acid
MOLECULAR FORMULA: C27H54NO9S+
MOLECULAR WEIGHT: 568.78396
SMILES: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.CC(=O)OCC[N+](C)(C)C
Structure:
CAS RN: 5419-23-8
CAS Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; trihydroxy-methyl-oxo-$l^{6}-sulfane
OPENEYE Name: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; trihydroxy-methyl-oxo-$l^{6}-sulfane
IUPAC Name: 4-hexadecyl-4-methylthiomorpholin-4-ium; trihydroxy-methyl-oxo-$l^{6}-sulfane
SYSTEMATIC NAME: 4-hexadecyl-4-methyl-thiomorpholin-4-ium; methyl-tris(oxidanyl)-oxidanylidene-$l^{6}-sulfane
MOLECULAR FORMULA: C22H50NO4S2+
MOLECULAR WEIGHT: 456.7667
SMILES: CCCCCCCCCCCCCCCC[N+]1(CCSCC1)C.CS(=O)(O)(O)O
Structure:
CAS RN: 5863-98-9
CAS Name: 4-[2-(2-hydroxy-1-naphthalenyl)-2-sulfohydrazinyl]benzenesulfonic acid
OPENEYE Name: 4-[2-(2-hydroxy-1-naphthyl)-2-sulfo-hydrazino]benzenesulfonic acid
IUPAC Name: 4-[2-(2-hydroxynaphthalen-1-yl)-2-sulfohydrazinyl]benzenesulfonic acid
SYSTEMATIC NAME: 4-[2-(2-oxidanylnaphthalen-1-yl)-2-sulfo-hydrazinyl]benzenesulfonic acid
MOLECULAR FORMULA: C16H14N2O7S2
MOLECULAR WEIGHT: 410.42156
SMILES: C1=CC=C2C(=C1)C=CC(=C2N(NC3=CC=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)O
Structure:
CAS RN: 5421-65-8
CAS Name: 4-(4-methyl-4-azoniaspiro[4.5]decan-4-yl)-2,2-diphenylbutanamide
OPENEYE Name: 4-(4-methyl-4-azoniaspiro[4.5]decan-4-yl)-2,2-diphenyl-butanamide
IUPAC Name: 4-(4-methyl-4-azoniaspiro[4.5]decan-4-yl)-2,2-diphenylbutanamide
SYSTEMATIC NAME: 4-(4-methyl-4-azoniaspiro[4.5]decan-4-yl)-2,2-diphenyl-butanamide
MOLECULAR FORMULA: C26H35N2O+
MOLECULAR WEIGHT: 391.5689
SMILES: C[N+]1(CCCC12CCCCC2)CCC(C3=CC=CC=C3)(C4=CC=CC=C4)C(=O)N
Structure:
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