CAS RN: 28250-62-6
CAS Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenylmethyl)-4-thiazolyl]phenyl]iminomethyl]aniline hydrochloride
OPENEYE Name: 4-[[4-(2-benzylthiazol-4-yl)-3-chloro-phenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline hydrochloride
IUPAC Name: 4-[[4-(2-benzyl-1,3-thiazol-4-yl)-3-chlorophenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline hydrochloride
SYSTEMATIC NAME: 4-[[3-chloranyl-4-[2-(phenylmethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)aniline hydrochloride
MOLECULAR FORMULA: C27H25Cl4N3S
MOLECULAR WEIGHT: 565.3845
SMILES: C1=CC=C(C=C1)CC2=NC(=CS2)C3=C(C=C(C=C3)N=CC4=CC=C(C=C4)N(CCCl)CCCl)Cl.Cl
Structure:
CAS RN: 27244-18-4
CAS Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenoxymethyl)-4-thiazolyl]phenyl]iminomethyl]-3-methylaniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenoxymethyl)thiazol-4-yl]phenyl]iminomethyl]-3-methyl-aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-4-[[3-chloro-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-3-methylaniline hydrochloride
SYSTEMATIC NAME: 4-[[3-chloranyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]phenyl]iminomethyl]-N,N-bis(2-chloroethyl)-3-methyl-aniline hydrochloride
MOLECULAR FORMULA: C28H27Cl4N3OS
MOLECULAR WEIGHT: 595.41048
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NC2=CC(=C(C=C2)C3=CSC(=N3)COC4=CC=CC=C4)Cl.Cl
Structure:
CAS RN: 92651-66-6
CAS Name: 1-[(tert-butylamino)methyl]-2-naphthalenol chloride
OPENEYE Name: 1-[(tert-butylamino)methyl]naphthalen-2-ol chloride
IUPAC Name: 1-[(tert-butylamino)methyl]naphthalen-2-ol chloride
SYSTEMATIC NAME: 1-[(tert-butylamino)methyl]naphthalen-2-ol chloride
MOLECULAR FORMULA: C15H19ClNO-
MOLECULAR WEIGHT: 264.77046
SMILES: CC(C)(C)NCC1=C(C=CC2=CC=CC=C21)O.[Cl-]
Structure:
CAS RN: 23226-16-6
CAS Name: 3-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-2-indolone hydrochloride
OPENEYE Name: 3-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-indolin-2-one hydrochloride
IUPAC Name: 3-[3-(dimethylamino)propyl]-3-methyl-1-phenylindol-2-one hydrochloride
SYSTEMATIC NAME: 3-[3-(dimethylamino)propyl]-3-methyl-1-phenyl-indol-2-one hydrochloride
MOLECULAR FORMULA: C20H25ClN2O
MOLECULAR WEIGHT: 344.8783
SMILES: CC1(C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)CCCN(C)C.Cl
Structure:
CAS RN: 5370-66-1
CAS Name: 4-[2-(1-benzothiophen-3-yl)ethenyl]-1-methylpyridin-1-ium iodide
OPENEYE Name: 4-[2-(benzothiophen-3-yl)vinyl]-1-methyl-pyridin-1-ium iodide
IUPAC Name: 4-[2-(1-benzothiophen-3-yl)ethenyl]-1-methylpyridin-1-ium iodide
SYSTEMATIC NAME: 4-[2-(1-benzothiophen-3-yl)ethenyl]-1-methyl-pyridin-1-ium iodide
MOLECULAR FORMULA: C16H14INS
MOLECULAR WEIGHT: 379.25853
SMILES: C[N+]1=CC=C(C=C1)C=CC2=CSC3=CC=CC=C32.[I-]
Structure:
CAS RN: 15272-99-8
CAS Name: 1-benzothiophene-2-carboxylic acid 3-(dimethylamino)propyl ester hydrochloride
OPENEYE Name: 3-(dimethylamino)propyl benzothiophene-2-carboxylate hydrochloride
IUPAC Name: 3-(dimethylamino)propyl 1-benzothiophene-2-carboxylate hydrochloride
SYSTEMATIC NAME: 3-(dimethylamino)propyl 1-benzothiophene-2-carboxylate hydrochloride
MOLECULAR FORMULA: C14H18ClNO2S
MOLECULAR WEIGHT: 299.81622
SMILES: CN(C)CCCOC(=O)C1=CC2=CC=CC=C2S1.Cl
Structure:
CAS RN: 15272-95-4
CAS Name: N-[2-(diethylamino)ethyl]-1-benzothiophene-2-carboxamide hydrochloride
OPENEYE Name: N-[2-(diethylamino)ethyl]benzothiophene-2-carboxamide hydrochloride
IUPAC Name: N-[2-(diethylamino)ethyl]-1-benzothiophene-2-carboxamide hydrochloride
SYSTEMATIC NAME: N-[2-(diethylamino)ethyl]-1-benzothiophene-2-carboxamide hydrochloride
MOLECULAR FORMULA: C15H21ClN2OS
MOLECULAR WEIGHT: 312.85804
SMILES: CCN(CC)CCNC(=O)C1=CC2=CC=CC=C2S1.Cl
Structure:
CAS RN: 61-46-1
CAS Name: 3-(1-azepanyl)-1-(1-benzothiophen-3-yl)-1-propanone hydrochloride
OPENEYE Name: 3-(azepan-1-yl)-1-(benzothiophen-3-yl)propan-1-one hydrochloride
IUPAC Name: 3-(azepan-1-yl)-1-(1-benzothiophen-3-yl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-(azepan-1-yl)-1-(1-benzothiophen-3-yl)propan-1-one hydrochloride
MOLECULAR FORMULA: C17H22ClNOS
MOLECULAR WEIGHT: 323.88068
SMILES: C1CCCN(CC1)CCC(=O)C2=CSC3=CC=CC=C32.Cl
Structure:
CAS RN: 2235-93-0
CAS Name: 1-(1-benzothiophen-3-yl)-3-[bis(phenylmethyl)amino]-1-propanone hydrochloride
OPENEYE Name: 1-(benzothiophen-3-yl)-3-(dibenzylamino)propan-1-one hydrochloride
IUPAC Name: 1-(1-benzothiophen-3-yl)-3-(dibenzylamino)propan-1-one hydrochloride
SYSTEMATIC NAME: 1-(1-benzothiophen-3-yl)-3-[bis(phenylmethyl)amino]propan-1-one hydrochloride
MOLECULAR FORMULA: C25H24ClNOS
MOLECULAR WEIGHT: 421.98216
SMILES: C1=CC=C(C=C1)CN(CCC(=O)C2=CSC3=CC=CC=C32)CC4=CC=CC=C4.Cl
Structure:
CAS RN: 61-45-0
CAS Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(1-benzothiophen-3-yl)-1-propanone hydrochloride
OPENEYE Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(benzothiophen-3-yl)propan-1-one hydrochloride
IUPAC Name: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(1-benzothiophen-3-yl)propan-1-one hydrochloride
SYSTEMATIC NAME: 3-(3-azabicyclo[3.2.2]nonan-3-yl)-1-(1-benzothiophen-3-yl)propan-1-one hydrochloride
MOLECULAR FORMULA: C19H24ClNOS
MOLECULAR WEIGHT: 349.91796
SMILES: C1CC2CCC1CN(C2)CCC(=O)C3=CSC4=CC=CC=C43.Cl
Structure:
CAS RN: 4349-34-2
CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanimidamide hydrochloride
OPENEYE Name: 3-(p-tolylsulfonylamino)propanamidine hydrochloride
IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]propanimidamide hydrochloride
SYSTEMATIC NAME: 3-[(4-methylphenyl)sulfonylamino]propanimidamide hydrochloride
MOLECULAR FORMULA: C10H16ClN3O2S
MOLECULAR WEIGHT: 277.77094
SMILES: CC1=CC=C(C=C1)S(=O)(=O)NCCC(=N)N.Cl
Structure:
CAS RN: 36142-61-7
CAS Name: 4-amino-1H-imidazole-5-carboxylic acid 2-(diethylamino)ethyl ester hydrochloride
OPENEYE Name: 2-(diethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate hydrochloride
IUPAC Name: 2-(diethylamino)ethyl 4-amino-1H-imidazole-5-carboxylate hydrochloride
SYSTEMATIC NAME: 2-(diethylamino)ethyl 4-azanyl-1H-imidazole-5-carboxylate hydrochloride
MOLECULAR FORMULA: C10H19ClN4O2
MOLECULAR WEIGHT: 262.73646
SMILES: CCN(CC)CCOC(=O)C1=C(N=CN1)N.Cl
Structure:
CAS RN: 50993-51-6
CAS Name: 4-azido-1H-imidazole-5-carboxylic acid methyl ester
OPENEYE Name: methyl 4-azido-1H-imidazole-5-carboxylate
IUPAC Name: methyl 4-azido-1H-imidazole-5-carboxylate
SYSTEMATIC NAME: methyl 4-azido-1H-imidazole-5-carboxylate
MOLECULAR FORMULA: C5H5N5O2
MOLECULAR WEIGHT: 167.1255
SMILES: COC(=O)C1=C(N=CN1)N=[N+]=[N-]
Structure:
CAS RN: 23617-53-0
CAS Name: 1-ethyl-N-(1-ethyl-4-pyridin-1-iumyl)-2-[2-[4-[(1-ethyl-4-pyridin-1-iumyl)amino]phenyl]ethenyl]-6-quinolin-1-iumamine iodide
OPENEYE Name: 1-ethyl-N-(1-ethylpyridin-1-ium-4-yl)-2-[2-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]vinyl]quinolin-1-ium-6-amine iodide
IUPAC Name: 1-ethyl-N-(1-ethylpyridin-1-ium-4-yl)-2-[2-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]quinolin-1-ium-6-amine iodide
SYSTEMATIC NAME: 1-ethyl-N-(1-ethylpyridin-1-ium-4-yl)-2-[2-[4-[(1-ethylpyridin-1-ium-4-yl)amino]phenyl]ethenyl]quinolin-1-ium-6-amine iodide
MOLECULAR FORMULA: C33H36IN5+2
MOLECULAR WEIGHT: 629.57691
SMILES: CC[N+]1=CC=C(C=C1)NC2=CC=C(C=C2)C=CC3=[N+](C4=C(C=C3)C=C(C=C4)NC5=CC=[N+](C=C5)CC)CC.[I-]
Structure:
CAS RN: 31273-50-4
CAS Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydro-1-benzothiopyran-6-sulfonic acid
OPENEYE Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxo-ethylidene)thiochromane-6-sulfonic acid
IUPAC Name: sodium (4Z)-4-(2-amino-1-cyano-2-oxoethylidene)-2,3-dihydrothiochromene-6-sulfonic acid
SYSTEMATIC NAME: sodium (4Z)-4-(2-azanyl-1-cyano-2-oxidanylidene-ethylidene)-2,3-dihydrothiochromene-6-sulfonic acid
MOLECULAR FORMULA: C12H10N2NaO4S2+
MOLECULAR WEIGHT: 333.33857
SMILES: C\1CSC2=C(/C1=C(/C#N)\C(=O)N)C=C(C=C2)S(=O)(=O)O.[Na+]
Structure:
CAS RN: 5296-10-6
CAS Name: 1-(diethylamino)-3-(2-methylphenoxy)-2-propanol hydrochloride
OPENEYE Name: 1-(diethylamino)-3-(2-methylphenoxy)propan-2-ol hydrochloride
IUPAC Name: 1-(diethylamino)-3-(2-methylphenoxy)propan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(diethylamino)-3-(2-methylphenoxy)propan-2-ol hydrochloride
MOLECULAR FORMULA: C14H24ClNO2
MOLECULAR WEIGHT: 273.79886
SMILES: CCN(CC)CC(COC1=CC=CC=C1C)O.Cl
Structure:
CAS RN: 63918-36-5
CAS Name: N,N'-bis(2-chloroethyl)-N,N'-diethylethane-1,2-diamine hydrochloride
OPENEYE Name: N,N'-bis(2-chloroethyl)-N,N'-diethyl-ethane-1,2-diamine hydrochloride
IUPAC Name: N,N'-bis(2-chloroethyl)-N,N'-diethylethane-1,2-diamine hydrochloride
SYSTEMATIC NAME: N,N'-bis(2-chloroethyl)-N,N'-diethyl-ethane-1,2-diamine hydrochloride
MOLECULAR FORMULA: C10H23Cl3N2
MOLECULAR WEIGHT: 277.66202
SMILES: CCN(CCN(CC)CCCl)CCCl.Cl
Structure:
CAS RN: 89796-24-7
CAS Name: 4-(2-bromopropyl)morpholine hydrobromide
OPENEYE Name: 4-(2-bromopropyl)morpholine hydrobromide
IUPAC Name: 4-(2-bromopropyl)morpholine hydrobromide
SYSTEMATIC NAME: 4-(2-bromanylpropyl)morpholine hydrobromide
MOLECULAR FORMULA: C7H15Br2NO
MOLECULAR WEIGHT: 289.0081
SMILES: CC(CN1CCOCC1)Br.Br
Structure:
CAS RN: 20926-53-8
CAS Name: 1-methyl-2-(5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphorinan-2-yl)hydrazine hydrochloride
OPENEYE Name: 1-methyl-2-(5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)hydrazine hydrochloride
IUPAC Name: 1-methyl-2-(5-methyl-5-nitro-2-oxo-1,3,2$l^{5}-dioxaphosphinan-2-yl)hydrazine hydrochloride
SYSTEMATIC NAME: 1-methyl-2-(5-methyl-5-nitro-2-oxidanylidene-1,3,2$l^{5}-dioxaphosphinan-2-yl)diazane hydrochloride
MOLECULAR FORMULA: C5H13ClN3O5P
MOLECULAR WEIGHT: 261.600581
SMILES: CC1(COP(=O)(OC1)NNC)[N+](=O)[O-].Cl
Structure:
CAS RN: 23232-74-8
CAS Name: 1-(methylamino)-1-cyclohexanecarboxamide hydrochloride
OPENEYE Name: 1-(methylamino)cyclohexanecarboxamide hydrochloride
IUPAC Name: 1-(methylamino)cyclohexane-1-carboxamide hydrochloride
SYSTEMATIC NAME: 1-(methylamino)cyclohexane-1-carboxamide hydrochloride
MOLECULAR FORMULA: C8H17ClN2O
MOLECULAR WEIGHT: 192.68638
SMILES: CNC1(CCCCC1)C(=O)N.Cl
Structure:
CAS RN: 2263-70-9
CAS Name: 5,5,6,6,7,7,7-heptafluoro-3-heptanamine hydrochloride
OPENEYE Name: 5,5,6,6,7,7,7-heptafluoroheptan-3-amine hydrochloride
IUPAC Name: 5,5,6,6,7,7,7-heptafluoroheptan-3-amine hydrochloride
SYSTEMATIC NAME: 5,5,6,6,7,7,7-heptakis(fluoranyl)heptan-3-amine hydrochloride
MOLECULAR FORMULA: C7H11ClF7N
MOLECULAR WEIGHT: 277.610762
SMILES: CCC(CC(C(C(F)(F)F)(F)F)(F)F)N.Cl
Structure:
CAS RN: 308-37-2
CAS Name: 5-amino-1,1,1,2,2,3,3-heptafluoro-4-heptanol hydrochloride
OPENEYE Name: 5-amino-1,1,1,2,2,3,3-heptafluoro-heptan-4-ol hydrochloride
IUPAC Name: 5-amino-1,1,1,2,2,3,3-heptafluoroheptan-4-ol hydrochloride
SYSTEMATIC NAME: 5-azanyl-1,1,1,2,2,3,3-heptakis(fluoranyl)heptan-4-ol hydrochloride
MOLECULAR FORMULA: C7H11ClF7NO
MOLECULAR WEIGHT: 293.610162
SMILES: CCC(C(C(C(C(F)(F)F)(F)F)(F)F)O)N.Cl
Structure:
CAS RN: 308-38-3
CAS Name: 2-ethyl-3,3,4,4,5,5,5-heptafluoro-1-pentanamine hydrochloride
OPENEYE Name: 2-ethyl-3,3,4,4,5,5,5-heptafluoro-pentan-1-amine hydrochloride
IUPAC Name: 2-ethyl-3,3,4,4,5,5,5-heptafluoropentan-1-amine hydrochloride
SYSTEMATIC NAME: 2-ethyl-3,3,4,4,5,5,5-heptakis(fluoranyl)pentan-1-amine hydrochloride
MOLECULAR FORMULA: C7H11ClF7N
MOLECULAR WEIGHT: 277.610762
SMILES: CCC(CN)C(C(C(F)(F)F)(F)F)(F)F.Cl
Structure:
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