CAS RN: 7545-09-7
CAS Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium
OPENEYE Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium
IUPAC Name: 4-(7-chloroheptyl)benzenesulfonic acid; sodium
SYSTEMATIC NAME: 4-(7-chloranylheptyl)benzenesulfonic acid; sodium
MOLECULAR FORMULA: C13H19ClNaO3S
MOLECULAR WEIGHT: 313.79593
SMILES: C1=CC(=CC=C1CCCCCCCCl)S(=O)(=O)O.[Na]
Structure:
CAS RN: 16980-32-8
CAS Name: 3-anilino-2-(dimethyl-$l^{4}-sulfanylidene)-3-oxopropanoic acid ethyl ester
OPENEYE Name: ethyl 3-anilino-2-(dimethyl-$l^{4}-sulfanylidene)-3-oxo-propanoate
IUPAC Name: ethyl 3-anilino-2-(dimethyl-$l^{4}-sulfanylidene)-3-oxopropanoate
SYSTEMATIC NAME: ethyl 2-(dimethyl-$l^{4}-sulfanylidene)-3-oxidanylidene-3-phenylazanyl-propanoate
MOLECULAR FORMULA: C13H17NO3S
MOLECULAR WEIGHT: 267.34398
SMILES: CCOC(=O)C(=S(C)C)C(=O)NC1=CC=CC=C1
Structure:
CAS RN: 59512-45-7
CAS Name: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]-3-nonanol hydrochloride
OPENEYE Name: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]nonan-3-ol hydrochloride
IUPAC Name: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]nonan-3-ol hydrochloride
SYSTEMATIC NAME: 1-(3,4-dichlorophenyl)-4-[(dimethylamino)methyl]nonan-3-ol hydrochloride
MOLECULAR FORMULA: C18H30Cl3NO
MOLECULAR WEIGHT: 382.7959
SMILES: CCCCCC(CN(C)C)C(CCC1=CC(=C(C=C1)Cl)Cl)O.Cl
Structure:
CAS RN: 59512-48-0
CAS Name: 2-[(E)-3-(3,4-dichlorophenyl)-1-oxoprop-2-enyl]heptyl-trimethylammonium iodide
OPENEYE Name: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethyl-ammonium iodide
IUPAC Name: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]heptyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C19H28Cl2INO
MOLECULAR WEIGHT: 484.24219
SMILES: CCCCCC(C[N+](C)(C)C)C(=O)/C=C/C1=CC(=C(C=C1)Cl)Cl.[I-]
Structure:
CAS RN: 22251-86-1
CAS Name: 3,5-dimethyldithiol-1-ium iodide
OPENEYE Name: 3,5-dimethyldithiol-1-ium iodide
IUPAC Name: 3,5-dimethyldithiol-1-ium iodide
SYSTEMATIC NAME: 3,5-dimethyl-1,2-dithiol-1-ium iodide
MOLECULAR FORMULA: C5H7IS2
MOLECULAR WEIGHT: 258.14355
SMILES: CC1=CC(=[S+]S1)C.[I-]
Structure:
CAS RN: 41467-71-4
CAS Name: 3,5-diphenyldithiol-1-ium iodide
OPENEYE Name: 3,5-diphenyldithiol-1-ium iodide
IUPAC Name: 3,5-diphenyldithiol-1-ium iodide
SYSTEMATIC NAME: 3,5-diphenyl-1,2-dithiol-1-ium iodide
MOLECULAR FORMULA: C15H11IS2
MOLECULAR WEIGHT: 382.28231
SMILES: C1=CC=C(C=C1)C2=CC(=[S+]S2)C3=CC=CC=C3.[I-]
Structure:
CAS RN: 37344-00-6
CAS Name: 3-methyl-5-phenyldithiol-1-ium iodide
OPENEYE Name: 3-methyl-5-phenyl-dithiol-1-ium iodide
IUPAC Name: 3-methyl-5-phenyldithiol-1-ium iodide
SYSTEMATIC NAME: 3-methyl-5-phenyl-1,2-dithiol-1-ium iodide
MOLECULAR FORMULA: C10H9IS2
MOLECULAR WEIGHT: 320.21293
SMILES: CC1=CC(=[S+]S1)C2=CC=CC=C2.[I-]
Structure:
CAS RN: 40374-46-7
CAS Name: 2,4-dichloro-6-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
OPENEYE Name: 2,4-dichloro-6-[[methyl-(1,7,7-trimethylnorbornan-2-yl)amino]methyl]phenol hydrochloride
IUPAC Name: 2,4-dichloro-6-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
MOLECULAR FORMULA: C18H26Cl3NO
MOLECULAR WEIGHT: 378.76414
SMILES: CC1(C2CCC1(C(C2)N(C)CC3=CC(=CC(=C3O)Cl)Cl)C)C.Cl
Structure:
CAS RN: 91982-87-5
CAS Name: 3-(2,4-dichlorophenyl)-5-oxadiazol-3-iumolate
OPENEYE Name: 3-(2,4-dichlorophenyl)oxadiazol-3-ium-5-olate
IUPAC Name: 3-(2,4-dichlorophenyl)oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 3-(2,4-dichlorophenyl)-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C8H4Cl2N2O2
MOLECULAR WEIGHT: 231.03556
SMILES: C1=CC(=C(C=C1Cl)Cl)[N+]2=NOC(=C2)[O-]
Structure:
CAS RN: 4918-33-6
CAS Name: 3-butyl-5-oxo-2H-oxadiazol-3-ium-4-carboxylate
OPENEYE Name: 3-butyl-5-oxo-2H-oxadiazol-3-ium-4-carboxylate
IUPAC Name: 3-butyl-5-oxo-2H-oxadiazol-3-ium-4-carboxylate
SYSTEMATIC NAME: 3-butyl-5-oxidanylidene-2H-1,2,3-oxadiazol-3-ium-4-carboxylate
MOLECULAR FORMULA: C7H10N2O4
MOLECULAR WEIGHT: 186.1653
SMILES: CCCC[N+]1=C(C(=O)ON1)C(=O)[O-]
Structure:
CAS RN: 16975-44-3
CAS Name: 2-[(phenylmethyl)amino]propanoic acid methyl ester hydrochloride
OPENEYE Name: methyl 2-(benzylamino)propanoate hydrochloride
IUPAC Name: methyl 2-(benzylamino)propanoate hydrochloride
SYSTEMATIC NAME: methyl 2-[(phenylmethyl)amino]propanoate hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: CC(C(=O)OC)NCC1=CC=CC=C1.Cl
Structure:
CAS RN: 15841-69-7
CAS Name: dichlorocobalt; 4-propylpiperidin-1-ide; 4-propyl-2H-pyridin-1-ide
OPENEYE Name: dichlorocobalt; 4-propylpiperidin-1-ide; 4-propyl-2H-pyridin-1-ide
IUPAC Name: dichlorocobalt; 4-propylpiperidin-1-ide; 4-propyl-2H-pyridin-1-ide
SYSTEMATIC NAME: bis(chloranyl)cobalt; 4-propylpiperidin-1-ide; 4-propyl-2H-pyridin-1-ide
MOLECULAR FORMULA: C16H28Cl2CoN2-2
MOLECULAR WEIGHT: 378.24612
SMILES: CCCC1CC[N-]CC1.CCCC1=CC[N-]C=C1.Cl[Co]Cl
Structure:
CAS RN: 24271-65-6
CAS Name: 2-amino-4,7,7-trimethyl-3-bicyclo[2.2.1]heptanone hydrochloride
OPENEYE Name: 3-amino-1,7,7-trimethyl-norbornan-2-one hydrochloride
IUPAC Name: 2-amino-4,7,7-trimethylbicyclo[2.2.1]heptan-3-one hydrochloride
SYSTEMATIC NAME: 2-azanyl-4,7,7-trimethyl-bicyclo[2.2.1]heptan-3-one hydrochloride
MOLECULAR FORMULA: C10H18ClNO
MOLECULAR WEIGHT: 203.70902
SMILES: CC1(C2CCC1(C(=O)C2N)C)C.Cl
Structure:
CAS RN: 25857-56-1
CAS Name: dichlororhodium; 1,2-dihydropyridine-5-carboxylate; 3-piperidin-1-idecarboxylic acid
OPENEYE Name: dichlororhodium; 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
IUPAC Name: dichlororhodium; 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
SYSTEMATIC NAME: bis(chloranyl)rhodium; 1,2-dihydropyridine-5-carboxylate; piperidin-1-ide-3-carboxylic acid
MOLECULAR FORMULA: C24H36Cl2N4O8Rh-4
MOLECULAR WEIGHT: 682.37614
SMILES: C1CC(C[N-]C1)C(=O)O.C1CC(C[N-]C1)C(=O)O.C1CC(C[N-]C1)C(=O)O.C1C=CC(=CN1)C(=O)[O-].Cl[Rh]Cl
Structure:
CAS RN: 40374-41-2
CAS Name: 2,4-dibromo-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
OPENEYE Name: 2,4-dibromo-6-[[(1,7,7-trimethylnorbornan-2-yl)amino]methyl]phenol hydrochloride
IUPAC Name: 2,4-dibromo-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
SYSTEMATIC NAME: 2,4-bis(bromanyl)-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
MOLECULAR FORMULA: C17H24Br2ClNO
MOLECULAR WEIGHT: 453.63956
SMILES: CC1(C2CCC1(C(C2)NCC3=CC(=CC(=C3O)Br)Br)C)C.Cl
Structure:
CAS RN: 40374-40-1
CAS Name: 2,4-dichloro-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
OPENEYE Name: 2,4-dichloro-6-[[(1,7,7-trimethylnorbornan-2-yl)amino]methyl]phenol hydrochloride
IUPAC Name: 2,4-dichloro-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
SYSTEMATIC NAME: 2,4-bis(chloranyl)-6-[[(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
MOLECULAR FORMULA: C17H24Cl3NO
MOLECULAR WEIGHT: 364.73756
SMILES: CC1(C2CCC1(C(C2)NCC3=CC(=CC(=C3O)Cl)Cl)C)C.Cl
Structure:
CAS RN: 40374-45-6
CAS Name: 2-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
OPENEYE Name: 2-[[methyl-(1,7,7-trimethylnorbornan-2-yl)amino]methyl]phenol hydrochloride
IUPAC Name: 2-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
SYSTEMATIC NAME: 2-[[methyl-(4,7,7-trimethyl-3-bicyclo[2.2.1]heptanyl)amino]methyl]phenol hydrochloride
MOLECULAR FORMULA: C18H28ClNO
MOLECULAR WEIGHT: 309.87402
SMILES: CC1(C2CCC1(C(C2)N(C)CC3=CC=CC=C3O)C)C.Cl
Structure:
CAS RN: 28082-59-9
CAS Name: 1-(dimethylamino)-2,6-dimethyl-3-phenyl-5-hepten-3-ol hydrochloride
OPENEYE Name: 1-(dimethylamino)-2,6-dimethyl-3-phenyl-hept-5-en-3-ol hydrochloride
IUPAC Name: 1-(dimethylamino)-2,6-dimethyl-3-phenylhept-5-en-3-ol hydrochloride
SYSTEMATIC NAME: 1-(dimethylamino)-2,6-dimethyl-3-phenyl-hept-5-en-3-ol hydrochloride
MOLECULAR FORMULA: C17H28ClNO
MOLECULAR WEIGHT: 297.86332
SMILES: CC(CN(C)C)C(CC=C(C)C)(C1=CC=CC=C1)O.Cl
Structure:
CAS RN: 28082-58-8
CAS Name: propanoic acid [1-(dimethylamino)-2,6-dimethyl-3-phenylhept-5-en-3-yl] ester hydrochloride
OPENEYE Name: [1-[2-(dimethylamino)-1-methyl-ethyl]-4-methyl-1-phenyl-pent-3-enyl] propanoate hydrochloride
IUPAC Name: [1-(dimethylamino)-2,6-dimethyl-3-phenylhept-5-en-3-yl] propanoate hydrochloride
SYSTEMATIC NAME: [1-(dimethylamino)-2,6-dimethyl-3-phenyl-hept-5-en-3-yl] propanoate hydrochloride
MOLECULAR FORMULA: C20H32ClNO2
MOLECULAR WEIGHT: 353.92658
SMILES: CCC(=O)OC(CC=C(C)C)(C1=CC=CC=C1)C(C)CN(C)C.Cl
Structure:
CAS RN: 28082-57-7
CAS Name: 4-methyl-3-pentenoic acid [1-(dimethylamino)-2,6-dimethyl-3-phenylhept-5-en-3-yl] ester hydrochloride
OPENEYE Name: [1-[2-(dimethylamino)-1-methyl-ethyl]-4-methyl-1-phenyl-pent-3-enyl] 4-methylpent-3-enoate hydrochloride
IUPAC Name: [1-(dimethylamino)-2,6-dimethyl-3-phenylhept-5-en-3-yl] 4-methylpent-3-enoate hydrochloride
SYSTEMATIC NAME: [1-(dimethylamino)-2,6-dimethyl-3-phenyl-hept-5-en-3-yl] 4-methylpent-3-enoate hydrochloride
MOLECULAR FORMULA: C23H36ClNO2
MOLECULAR WEIGHT: 393.99044
SMILES: CC(CN(C)C)C(CC=C(C)C)(C1=CC=CC=C1)OC(=O)CC=C(C)C.Cl
Structure:
CAS RN: 51125-91-8
CAS Name: N-[4-(4-morpholinyl)-2-[2-(4-morpholinyl)ethyl]-2-(1-naphthalenyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
OPENEYE Name: N-[4-morpholino-2-(2-morpholinoethyl)-2-(1-naphthyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
IUPAC Name: N-[4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-ylbutyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
SYSTEMATIC NAME: N-[4-morpholin-4-yl-2-(2-morpholin-4-ylethyl)-2-naphthalen-1-yl-butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
MOLECULAR FORMULA: C27H40IN5O2
MOLECULAR WEIGHT: 593.54327
SMILES: C1CN=C(N1)NCC(CCN2CCOCC2)(CCN3CCOCC3)C4=CC=CC5=CC=CC=C54.I
Structure:
CAS RN: 51125-88-3
CAS Name: N-[2-methyl-4-(4-morpholinyl)-2-(1-naphthalenyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
OPENEYE Name: N-[2-methyl-4-morpholino-2-(1-naphthyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
IUPAC Name: N-(2-methyl-4-morpholin-4-yl-2-naphthalen-1-ylbutyl)-4,5-dihydro-1H-imidazol-2-amine hydroiodide
SYSTEMATIC NAME: N-(2-methyl-4-morpholin-4-yl-2-naphthalen-1-yl-butyl)-4,5-dihydro-1H-imidazol-2-amine hydroiodide
MOLECULAR FORMULA: C22H31IN4O
MOLECULAR WEIGHT: 494.41221
SMILES: CC(CCN1CCOCC1)(CNC2=NCCN2)C3=CC=CC4=CC=CC=C43.I
Structure:
CAS RN: 51125-86-1
CAS Name: N-(4,5-dihydro-1H-imidazol-2-yl)-N',N'-dimethyl-2-(1-naphthalenyl)butane-1,4-diamine hydroiodide
OPENEYE Name: N-(4,5-dihydro-1H-imidazol-2-yl)-N',N'-dimethyl-2-(1-naphthyl)butane-1,4-diamine hydroiodide
IUPAC Name: N-(4,5-dihydro-1H-imidazol-2-yl)-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine hydroiodide
SYSTEMATIC NAME: N-(4,5-dihydro-1H-imidazol-2-yl)-N',N'-dimethyl-2-naphthalen-1-yl-butane-1,4-diamine hydroiodide
MOLECULAR FORMULA: C19H27IN4
MOLECULAR WEIGHT: 438.34895
SMILES: CN(C)CCC(CNC1=NCCN1)C2=CC=CC3=CC=CC=C32.I
Structure:
CAS RN: 51125-90-7
CAS Name: N-[3-methyl-2-(1-naphthalenyl)-2-[2-(1-piperidinyl)ethyl]butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
OPENEYE Name: N-[3-methyl-2-(1-naphthyl)-2-[2-(1-piperidyl)ethyl]butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
IUPAC Name: N-[3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
SYSTEMATIC NAME: N-[3-methyl-2-naphthalen-1-yl-2-(2-piperidin-1-ylethyl)butyl]-4,5-dihydro-1H-imidazol-2-amine hydroiodide
MOLECULAR FORMULA: C25H37IN4
MOLECULAR WEIGHT: 520.49255
SMILES: CC(C)C(CCN1CCCCC1)(CNC2=NCCN2)C3=CC=CC4=CC=CC=C43.I
Structure:
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