CAS RN: 7462-20-6
CAS Name: N-[(4-propan-2-ylphenyl)methyl]-1-dodecanamine hydrochloride
OPENEYE Name: N-[(4-isopropylphenyl)methyl]dodecan-1-amine hydrochloride
IUPAC Name: N-[(4-propan-2-ylphenyl)methyl]dodecan-1-amine hydrochloride
SYSTEMATIC NAME: N-[(4-propan-2-ylphenyl)methyl]dodecan-1-amine hydrochloride
MOLECULAR FORMULA: C22H40ClN
MOLECULAR WEIGHT: 354.0127
SMILES: CCCCCCCCCCCCNCC1=CC=C(C=C1)C(C)C.Cl
Structure:
CAS RN: 7471-02-5
CAS Name: 2,5-dimethoxy-N-[1-(1-naphthalenyl)-2-phenylethyl]aniline hydrochloride
OPENEYE Name: 2,5-dimethoxy-N-[1-(1-naphthyl)-2-phenyl-ethyl]aniline hydrochloride
IUPAC Name: 2,5-dimethoxy-N-(1-naphthalen-1-yl-2-phenylethyl)aniline hydrochloride
SYSTEMATIC NAME: 2,5-dimethoxy-N-(1-naphthalen-1-yl-2-phenyl-ethyl)aniline hydrochloride
MOLECULAR FORMULA: C26H26ClNO2
MOLECULAR WEIGHT: 419.94314
SMILES: COC1=CC(=C(C=C1)OC)NC(CC2=CC=CC=C2)C3=CC=CC4=CC=CC=C43.Cl
Structure:
CAS RN: 366-65-4
CAS Name: 1-(4-fluorophenyl)-2-(3-fluoro-1-pyridin-1-iumyl)ethanone bromide
OPENEYE Name: 1-(4-fluorophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone bromide
IUPAC Name: 1-(4-fluorophenyl)-2-(3-fluoropyridin-1-ium-1-yl)ethanone bromide
SYSTEMATIC NAME: 2-(3-fluoranylpyridin-1-ium-1-yl)-1-(4-fluorophenyl)ethanone bromide
MOLECULAR FORMULA: C13H10BrF2NO
MOLECULAR WEIGHT: 314.125406
SMILES: C1=CC(=C[N+](=C1)CC(=O)C2=CC=C(C=C2)F)F.[Br-]
Structure:
CAS RN: 7470-96-4
CAS Name: 1-(2-cyclohexylethyl)pyrazin-1-ium bromide
OPENEYE Name: 1-(2-cyclohexylethyl)pyrazin-1-ium bromide
IUPAC Name: 1-(2-cyclohexylethyl)pyrazin-1-ium bromide
SYSTEMATIC NAME: 1-(2-cyclohexylethyl)pyrazin-1-ium bromide
MOLECULAR FORMULA: C12H19BrN2
MOLECULAR WEIGHT: 271.19666
SMILES: C1CCC(CC1)CC[N+]2=CC=NC=C2.[Br-]
Structure:
CAS RN: 7461-54-3
CAS Name: trimethyl(oct-3-ynyl)ammonium iodide
OPENEYE Name: trimethyl(oct-3-ynyl)ammonium iodide
IUPAC Name: trimethyl(oct-3-ynyl)azanium iodide
SYSTEMATIC NAME: trimethyl(oct-3-ynyl)azanium iodide
MOLECULAR FORMULA: C11H22IN
MOLECULAR WEIGHT: 295.20355
SMILES: CCCCC#CCC[N+](C)(C)C.[I-]
Structure:
CAS RN: 7621-99-0
CAS Name: 2-[(2,6-dimethyl-4-pyryliumyl)thio]acetic acid ethyl ester iodide
OPENEYE Name: ethyl 2-(2,6-dimethylpyrylium-4-yl)sulfanylacetate iodide
IUPAC Name: ethyl 2-(2,6-dimethylpyrylium-4-yl)sulfanylacetate iodide
SYSTEMATIC NAME: ethyl 2-(2,6-dimethylpyrylium-4-yl)sulfanylethanoate iodide
MOLECULAR FORMULA: C11H15IO3S
MOLECULAR WEIGHT: 354.20447
SMILES: CCOC(=O)CSC1=CC(=[O+]C(=C1)C)C.[I-]
Structure:
CAS RN: 7404-05-9
CAS Name: 5-(4-oxanyl)-5-phenylimidazolidine-2,4-dione; sodium
OPENEYE Name: 5-phenyl-5-tetrahydropyran-4-yl-imidazolidine-2,4-dione; sodium
IUPAC Name: 5-(oxan-4-yl)-5-phenylimidazolidine-2,4-dione; sodium
SYSTEMATIC NAME: 5-(oxan-4-yl)-5-phenyl-imidazolidine-2,4-dione; sodium
MOLECULAR FORMULA: C14H16N2NaO3
MOLECULAR WEIGHT: 283.27821
SMILES: C1COCCC1C2(C(=O)NC(=O)N2)C3=CC=CC=C3.[Na]
Structure:
CAS RN: 7404-04-8
CAS Name: 2-[bis(prop-2-enyl)amino]-1H-quinazolin-4-one chloride
OPENEYE Name: 2-(diallylamino)-1H-quinazolin-4-one chloride
IUPAC Name: 2-[bis(prop-2-enyl)amino]-1H-quinazolin-4-one chloride
SYSTEMATIC NAME: 2-[bis(prop-2-enyl)amino]-1H-quinazolin-4-one chloride
MOLECULAR FORMULA: C14H15ClN3O-
MOLECULAR WEIGHT: 276.7414
SMILES: C=CCN(CC=C)C1=NC(=O)C2=CC=CC=C2N1.[Cl-]
Structure:
CAS RN: 7403-97-6
CAS Name: 5-(3-methylbutyl)-5-(4-oxanyl)imidazolidine-2,4-dione; sodium
OPENEYE Name: 5-isopentyl-5-tetrahydropyran-4-yl-imidazolidine-2,4-dione; sodium
IUPAC Name: 5-(3-methylbutyl)-5-(oxan-4-yl)imidazolidine-2,4-dione; sodium
SYSTEMATIC NAME: 5-(3-methylbutyl)-5-(oxan-4-yl)imidazolidine-2,4-dione; sodium
MOLECULAR FORMULA: C13H22N2NaO3
MOLECULAR WEIGHT: 277.31515
SMILES: CC(C)CCC1(C(=O)NC(=O)N1)C2CCOCC2.[Na]
Structure:
CAS RN: 7501-99-7
CAS Name: 2-(1,3-benzothiazol-2-yl)-1,1-dimethylguanidine chloride
OPENEYE Name: 2-(1,3-benzothiazol-2-yl)-1,1-dimethyl-guanidine chloride
IUPAC Name: 2-(1,3-benzothiazol-2-yl)-1,1-dimethylguanidine chloride
SYSTEMATIC NAME: 2-(1,3-benzothiazol-2-yl)-1,1-dimethyl-guanidine chloride
MOLECULAR FORMULA: C10H12ClN4S-
MOLECULAR WEIGHT: 255.74708
SMILES: CN(C)/C(=N/C1=NC2=CC=CC=C2S1)/N.[Cl-]
Structure:
CAS RN: 7403-82-9
CAS Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine bromide
OPENEYE Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethyl-guanidine bromide
IUPAC Name: 2-(6-chloro-1,3-benzothiazol-2-yl)-1,1-dimethylguanidine bromide
SYSTEMATIC NAME: 2-(6-chloranyl-1,3-benzothiazol-2-yl)-1,1-dimethyl-guanidine bromide
MOLECULAR FORMULA: C10H11BrClN4S-
MOLECULAR WEIGHT: 334.64314
SMILES: CN(C)/C(=N/C1=NC2=C(S1)C=C(C=C2)Cl)/N.[Br-]
Structure:
CAS RN: 7501-97-5
CAS Name: copper; 2-pyridinamine
OPENEYE Name: copper; pyridin-2-amine
IUPAC Name: copper; pyridin-2-amine
SYSTEMATIC NAME: copper; pyridin-2-amine
MOLECULAR FORMULA: C5H6CuN2
MOLECULAR WEIGHT: 157.66054
SMILES: C1=CC=NC(=C1)N.[Cu]
Structure:
CAS RN: 42745-29-9
CAS Name: dichlorocopper; (1-methoxy-1-oxopropan-2-yl)azanide
OPENEYE Name: dichlorocopper; (2-methoxy-1-methyl-2-oxo-ethyl)azanide
IUPAC Name: dichlorocopper; (1-methoxy-1-oxopropan-2-yl)azanide
SYSTEMATIC NAME: bis(chloranyl)copper; (1-methoxy-1-oxidanylidene-propan-2-yl)azanide
MOLECULAR FORMULA: C4H8Cl2CuNO2-
MOLECULAR WEIGHT: 236.56382
SMILES: CC(C(=O)OC)[NH-].Cl[Cu]Cl
Structure:
CAS RN: 15242-80-5
CAS Name: dichlorocopper; (2-methoxy-2-oxoethyl)azanide
OPENEYE Name: dichlorocopper; (2-methoxy-2-oxo-ethyl)azanide
IUPAC Name: dichlorocopper; (2-methoxy-2-oxoethyl)azanide
SYSTEMATIC NAME: bis(chloranyl)copper; (2-methoxy-2-oxidanylidene-ethyl)azanide
MOLECULAR FORMULA: C6H12Cl2CuN2O4-2
MOLECULAR WEIGHT: 310.62248
SMILES: COC(=O)C[NH-].COC(=O)C[NH-].Cl[Cu]Cl
Structure:
CAS RN: 7405-19-8
CAS Name: 3-acetyl-1-methyl-4-piperidinone hydrochloride
OPENEYE Name: 3-acetyl-1-methyl-piperidin-4-one hydrochloride
IUPAC Name: 3-acetyl-1-methylpiperidin-4-one hydrochloride
SYSTEMATIC NAME: 3-ethanoyl-1-methyl-piperidin-4-one hydrochloride
MOLECULAR FORMULA: C8H14ClNO2
MOLECULAR WEIGHT: 191.65526
SMILES: CC(=O)C1CN(CCC1=O)C.Cl
Structure:
CAS RN: 7405-18-7
CAS Name: 2-(4-piperidinylidene)propanedinitrile hydrochloride
OPENEYE Name: 2-(4-piperidylidene)propanedinitrile hydrochloride
IUPAC Name: 2-piperidin-4-ylidenepropanedinitrile hydrochloride
SYSTEMATIC NAME: 2-piperidin-4-ylidenepropanedinitrile hydrochloride
MOLECULAR FORMULA: C8H10ClN3
MOLECULAR WEIGHT: 183.6381
SMILES: C1CNCCC1=C(C#N)C#N.Cl
Structure:
CAS RN: 7405-14-3
CAS Name: 2-cyano-2-(1-methyl-4-pyridinylidene)acetic acid ethyl ester hydrochloride
OPENEYE Name: ethyl 2-cyano-2-(1-methyl-4-pyridylidene)acetate hydrochloride
IUPAC Name: ethyl 2-cyano-2-(1-methylpyridin-4-ylidene)acetate hydrochloride
SYSTEMATIC NAME: ethyl 2-cyano-2-(1-methylpyridin-4-ylidene)ethanoate hydrochloride
MOLECULAR FORMULA: C11H13ClN2O2
MOLECULAR WEIGHT: 240.68612
SMILES: CCOC(=O)C(=C1C=CN(C=C1)C)C#N.Cl
Structure:
CAS RN: 7405-13-2
CAS Name: (2-amino-4-methylphenyl)methanol hydrochloride
OPENEYE Name: (2-amino-4-methyl-phenyl)methanol hydrochloride
IUPAC Name: (2-amino-4-methylphenyl)methanol hydrochloride
SYSTEMATIC NAME: (2-azanyl-4-methyl-phenyl)methanol hydrochloride
MOLECULAR FORMULA: C8H12ClNO
MOLECULAR WEIGHT: 173.63998
SMILES: CC1=CC(=C(C=C1)CO)N.Cl
Structure:
CAS RN: 7770-55-0
CAS Name: 1-(1,2,3,3a,4,5-hexahydroacenaphthylen-5-ylmethylamino)-2-pentanol hydrochloride
OPENEYE Name: 1-(1,2,3,3a,4,5-hexahydroacenaphthylen-5-ylmethylamino)pentan-2-ol hydrochloride
IUPAC Name: 1-(1,2,3,3a,4,5-hexahydroacenaphthylen-5-ylmethylamino)pentan-2-ol hydrochloride
SYSTEMATIC NAME: 1-(1,2,3,3a,4,5-hexahydroacenaphthylen-5-ylmethylamino)pentan-2-ol hydrochloride
MOLECULAR FORMULA: C18H28ClNO
MOLECULAR WEIGHT: 309.87402
SMILES: CCCC(CNCC1CCC2CCC3=C2C1=CC=C3)O.Cl
Structure:
CAS RN: 7405-08-5
CAS Name: N-hexyl-1-heptanamine hydrobromide
OPENEYE Name: N-hexylheptan-1-amine hydrobromide
IUPAC Name: N-hexylheptan-1-amine hydrobromide
SYSTEMATIC NAME: N-hexylheptan-1-amine hydrobromide
MOLECULAR FORMULA: C13H30BrN
MOLECULAR WEIGHT: 280.288
SMILES: CCCCCCCNCCCCCC.Br
Structure:
CAS RN: 6425-22-5
CAS Name: 4-prop-2-enylmorpholine hydrochloride
OPENEYE Name: 4-allylmorpholine hydrochloride
IUPAC Name: 4-prop-2-enylmorpholine hydrochloride
SYSTEMATIC NAME: 4-prop-2-enylmorpholine hydrochloride
MOLECULAR FORMULA: C7H14ClNO
MOLECULAR WEIGHT: 163.64516
SMILES: C=CCN1CCOCC1.Cl
Structure:
CAS RN: 7404-96-8
CAS Name: sodium; [4-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]amino]phenyl]stibonic acid
OPENEYE Name: sodium; [4-[[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]amino]phenyl]stibonic acid
IUPAC Name: sodium; [4-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]amino]phenyl]stibonic acid
SYSTEMATIC NAME: [4-[[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]amino]phenyl]stibonic acid; sodium
MOLECULAR FORMULA: C12H18NNaO8Sb
MOLECULAR WEIGHT: 449.02299
SMILES: C1=CC(=CC=C1NC2C(C(C(C(O2)CO)O)O)O)[Sb](=O)(O)O.[Na]
Structure:
CAS RN: 7404-95-7
CAS Name: (2E)-3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylidene)-4-hydroxybutanoic acid; sodium
OPENEYE Name: (2E)-3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylene)-4-hydroxy-butanoic acid; sodium
IUPAC Name: (2E)-3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylidene)-4-hydroxybutanoic acid; sodium
SYSTEMATIC NAME: (2E)-3-(1,3-benzodioxol-5-ylmethyl)-2-(1,3-benzodioxol-5-ylmethylidene)-4-oxidanyl-butanoic acid; sodium
MOLECULAR FORMULA: C20H18NaO7
MOLECULAR WEIGHT: 393.34249
SMILES: C1OC2=C(O1)C=C(C=C2)CC(CO)/C(=C\C3=CC4=C(C=C3)OCO4)/C(=O)O.[Na]
Structure:
CAS RN: 7404-79-7
CAS Name: 4-methyl-4-nitro-1,7-diphenylheptane-1,7-dione oxime
OPENEYE Name: 4-methyl-4-nitro-1,7-diphenyl-heptane-1,7-dione oxime
IUPAC Name: (NZ)-N-[(7E)-7-hydroxyimino-4-methyl-4-nitro-1,7-diphenylheptylidene]hydroxylamine
SYSTEMATIC NAME: (NZ)-N-[(7E)-7-hydroxyimino-4-methyl-4-nitro-1,7-diphenyl-heptylidene]hydroxylamine
MOLECULAR FORMULA: C20H23N3O4
MOLECULAR WEIGHT: 369.41432
SMILES: CC(CC/C(=N\O)/C1=CC=CC=C1)(CC/C(=N/O)/C2=CC=CC=C2)[N+](=O)[O-]
Structure:
CAS RN: 10163-25-4
CAS Name: 4-methyl-3-(1-phenylpropan-2-yl)-5-oxadiazol-3-iumolate
OPENEYE Name: 4-methyl-3-(1-methyl-2-phenyl-ethyl)oxadiazol-3-ium-5-olate
IUPAC Name: 4-methyl-3-(1-phenylpropan-2-yl)oxadiazol-3-ium-5-olate
SYSTEMATIC NAME: 4-methyl-3-(1-phenylpropan-2-yl)-1,2,3-oxadiazol-3-ium-5-olate
MOLECULAR FORMULA: C12H14N2O2
MOLECULAR WEIGHT: 218.25176
SMILES: CC1=C(ON=[N+]1C(C)CC2=CC=CC=C2)[O-]
Structure:
CAS RN: 7476-76-8
CAS Name: 5-tert-butyl-2-[(5-tert-butyl-1,3,2-benzodioxastibol-2-yl)oxy]phenol; sodium
OPENEYE Name: 5-tert-butyl-2-[(5-tert-butyl-1,3,2-benzodioxastibol-2-yl)oxy]phenol; sodium
IUPAC Name: 5-tert-butyl-2-[(5-tert-butyl-1,3,2-benzodioxastibol-2-yl)oxy]phenol; sodium
SYSTEMATIC NAME: 5-tert-butyl-2-[(5-tert-butyl-1,3,2-benzodioxastibol-2-yl)oxy]phenol; sodium
MOLECULAR FORMULA: C20H25NaO4Sb
MOLECULAR WEIGHT: 474.15987
SMILES: CC(C)(C)C1=CC(=C(C=C1)O[Sb]2OC3=C(O2)C=C(C=C3)C(C)(C)C)O.[Na]
Structure:
CAS RN: 7476-74-6
CAS Name: 3-oxo-1,3-diphenyl-2-(1-pyridin-1-iumyl)-1-propen-1-olate
OPENEYE Name: 3-oxo-1,3-diphenyl-2-pyridin-1-ium-1-yl-prop-1-en-1-olate
IUPAC Name: 3-oxo-1,3-diphenyl-2-pyridin-1-ium-1-ylprop-1-en-1-olate
SYSTEMATIC NAME: 3-oxidanylidene-1,3-diphenyl-2-pyridin-1-ium-1-yl-prop-1-en-1-olate
MOLECULAR FORMULA: C20H15NO2
MOLECULAR WEIGHT: 301.3386
SMILES: C1=CC=C(C=C1)C(=C(C(=O)C2=CC=CC=C2)[N+]3=CC=CC=C3)[O-]
Structure:
CAS RN: 7478-48-0
CAS Name: 2-(8-hydroxy-1-quinolin-1-iumyl)-1-(4-methoxyphenyl)ethanone bromide
OPENEYE Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
IUPAC Name: 2-(8-hydroxyquinolin-1-ium-1-yl)-1-(4-methoxyphenyl)ethanone bromide
SYSTEMATIC NAME: 1-(4-methoxyphenyl)-2-(8-oxidanylquinolin-1-ium-1-yl)ethanone bromide
MOLECULAR FORMULA: C18H16BrNO3
MOLECULAR WEIGHT: 374.22854
SMILES: COC1=CC=C(C=C1)C(=O)C[N+]2=CC=CC3=C2C(=CC=C3)O.[Br-]
Structure:
CAS RN: 7478-47-9
CAS Name: 1-[(2Z)-2-hydroxyimino-2-(2-naphthalenyl)ethyl]-3-pyridin-1-iumcarbonitrile iodide
OPENEYE Name: 1-[(2Z)-2-hydroxyimino-2-(2-naphthyl)ethyl]pyridin-1-ium-3-carbonitrile iodide
IUPAC Name: 1-[(2Z)-2-hydroxyimino-2-naphthalen-2-ylethyl]pyridin-1-ium-3-carbonitrile iodide
SYSTEMATIC NAME: 1-[(2Z)-2-hydroxyimino-2-naphthalen-2-yl-ethyl]pyridin-1-ium-3-carbonitrile iodide
MOLECULAR FORMULA: C18H14IN3O
MOLECULAR WEIGHT: 415.22773
SMILES: C1=CC=C2C=C(C=CC2=C1)/C(=N/O)/C[N+]3=CC=CC(=C3)C#N.[I-]
Structure:
CAS RN: 7478-44-6
CAS Name: N'-(2-methoxyphenyl)carbamimidothioic acid 2-[[amino-(2-methoxyphenyl)iminomethyl]thio]ethyl ester hydrobromide
OPENEYE Name: 3-(2-methoxyphenyl)-2-[2-[N'-(2-methoxyphenyl)carbamimidoyl]sulfanylethyl]isothiourea hydrobromide
IUPAC Name: 2-[N'-(2-methoxyphenyl)carbamimidoyl]sulfanylethyl N'-(2-methoxyphenyl)carbamimidothioate hydrobromide
SYSTEMATIC NAME: 2-[N'-(2-methoxyphenyl)carbamimidoyl]sulfanylethyl N'-(2-methoxyphenyl)carbamimidothioate hydrobromide
MOLECULAR FORMULA: C18H23BrN4O2S2
MOLECULAR WEIGHT: 471.43482
SMILES: COC1=CC=CC=C1N=C(N)SCCSC(=NC2=CC=CC=C2OC)N.Br
Structure:
CAS RN: 17033-74-8
CAS Name: 2-(1-amino-2-phenylethyl)-4-cyclohexylphenol hydrochloride
OPENEYE Name: 2-(1-amino-2-phenyl-ethyl)-4-cyclohexyl-phenol hydrochloride
IUPAC Name: 2-(1-amino-2-phenylethyl)-4-cyclohexylphenol hydrochloride
SYSTEMATIC NAME: 2-(1-azanyl-2-phenyl-ethyl)-4-cyclohexyl-phenol hydrochloride
MOLECULAR FORMULA: C20H26ClNO
MOLECULAR WEIGHT: 331.87954
SMILES: C1CCC(CC1)C2=CC(=C(C=C2)O)C(CC3=CC=CC=C3)N.Cl
Structure:
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