Friday, September 28, 2012

http://ChemLookup.com Compounds




CAS RN: 13409-68-2
CAS Name: [3-(2-chloro-10-phenothiazinyl)propylamino]methanol
OPENEYE Name: [3-(2-chlorophenothiazin-10-yl)propylamino]methanol
IUPAC Name: [3-(2-chlorophenothiazin-10-yl)propylamino]methanol
SYSTEMATIC NAME: [3-(2-chloranylphenothiazin-10-yl)propylamino]methanol
MOLECULAR FORMULA: C16H17ClN2OS
MOLECULAR WEIGHT: 320.83698
SMILES: C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCNCO
Structure:

CAS RN: 13409-63-7
CAS Name: [3-(10-phenothiazinyl)propylamino]methanol
OPENEYE Name: (3-phenothiazin-10-ylpropylamino)methanol
IUPAC Name: (3-phenothiazin-10-ylpropylamino)methanol
SYSTEMATIC NAME: (3-phenothiazin-10-ylpropylamino)methanol
MOLECULAR FORMULA: C16H18N2OS
MOLECULAR WEIGHT: 286.39192
SMILES: C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCNCO
Structure:

CAS RN: 13406-48-9
CAS Name: (2S)-2-amino-3-(3-carbamoyl-4-methoxyphenyl)propanoic acid
OPENEYE Name: (2S)-2-amino-3-(3-carbamoyl-4-methoxy-phenyl)propanoic acid
IUPAC Name: (2S)-2-amino-3-(3-carbamoyl-4-methoxyphenyl)propanoic acid
SYSTEMATIC NAME: (2S)-3-(3-aminocarbonyl-4-methoxy-phenyl)-2-azanyl-propanoic acid
MOLECULAR FORMULA: C11H14N2O4
MOLECULAR WEIGHT: 238.23986
SMILES: COC1=C(C=C(C=C1)C[C@@H](C(=O)O)N)C(=O)N
Structure:

CAS RN: 13395-46-5
CAS Name: 2-phenyl-4-pentenoic acid 2-(diethylamino)ethyl ester
OPENEYE Name: 2-(diethylamino)ethyl 2-phenylpent-4-enoate
IUPAC Name: 2-(diethylamino)ethyl 2-phenylpent-4-enoate
SYSTEMATIC NAME: 2-(diethylamino)ethyl 2-phenylpent-4-enoate
MOLECULAR FORMULA: C17H25NO2
MOLECULAR WEIGHT: 275.3859
SMILES: CCN(CC)CCOC(=O)C(CC=C)C1=CC=CC=C1
Structure:

CAS RN: 13390-04-0
CAS Name: N-carbamoyl-5-oxo-2-phenyl-3-oxolanecarboxamide
OPENEYE Name: N-carbamoyl-5-oxo-2-phenyl-tetrahydrofuran-3-carboxamide
IUPAC Name: N-carbamoyl-5-oxo-2-phenyloxolane-3-carboxamide
SYSTEMATIC NAME: N-aminocarbonyl-5-oxidanylidene-2-phenyl-oxolane-3-carboxamide
MOLECULAR FORMULA: C12H12N2O4
MOLECULAR WEIGHT: 248.23468
SMILES: C1C(C(OC1=O)C2=CC=CC=C2)C(=O)NC(=O)N
Structure:

CAS RN: 13388-31-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H34Cl2N2O
MOLECULAR WEIGHT: 449.45626
SMILES: CC(CN1CCN(CC1)C)COC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl.Cl
Structure:

CAS RN: 13388-30-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H32Cl2N2O
MOLECULAR WEIGHT: 435.42968
SMILES: CN1CCN(CC1)CCCOC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl.Cl
Structure:

CAS RN: 13388-29-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H25NO
MOLECULAR WEIGHT: 307.4293
SMILES: CN(C)CCCOC1CC2C3=CC=CC=C3C1C4=CC=CC=C24
Structure:

CAS RN: 13388-28-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26ClNO
MOLECULAR WEIGHT: 343.89024
SMILES: CC(COC1CC2C3=CC=CC=C3C1C4=CC=CC=C24)N(C)C.Cl
Structure:

CAS RN: 13388-15-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28ClNO
MOLECULAR WEIGHT: 357.91682
SMILES: CN(C)CCOCCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.Cl
Structure:

CAS RN: 13388-14-2
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H28ClNO
MOLECULAR WEIGHT: 357.91682
SMILES: CN(C)CCCOCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.Cl
Structure:

CAS RN: 13388-11-9
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28ClNO2
MOLECULAR WEIGHT: 385.92692
SMILES: C1COCCN1CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl
Structure:

CAS RN: 13388-10-8
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C25H32ClNO
MOLECULAR WEIGHT: 397.98068
SMILES: C1CCCN(CC1)CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl
Structure:

CAS RN: 13388-09-5
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C23H28ClNO
MOLECULAR WEIGHT: 369.92752
SMILES: C1CCN(C1)CCOCC2CC3C4=CC=CC=C4C2C5=CC=CC=C35.Cl
Structure:

CAS RN: 13388-08-4
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C21H26ClNO
MOLECULAR WEIGHT: 343.89024
SMILES: CN(C)CCOCC1CC2C3=CC=CC=C3C1C4=CC=CC=C24.Cl
Structure:

CAS RN: 13385-09-6
CAS Name: 2-(4-chlorophenoxy)-N-methyl-N-(1-phenylpropan-2-yl)acetamide
OPENEYE Name: 2-(4-chlorophenoxy)-N-methyl-N-(1-methyl-2-phenyl-ethyl)acetamide
IUPAC Name: 2-(4-chlorophenoxy)-N-methyl-N-(1-phenylpropan-2-yl)acetamide
SYSTEMATIC NAME: 2-(4-chloranylphenoxy)-N-methyl-N-(1-phenylpropan-2-yl)ethanamide
MOLECULAR FORMULA: C18H20ClNO2
MOLECULAR WEIGHT: 317.8099
SMILES: CC(CC1=CC=CC=C1)N(C)C(=O)COC2=CC=C(C=C2)Cl
Structure:

CAS RN: 13382-89-3
CAS Name:
OPENEYE Name:
IUPAC Name:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C7H8Cl2OS
MOLECULAR WEIGHT: 211.10882
SMILES: C1C2C3C(C1C(C2S3=O)Cl)Cl
Structure:

CAS RN: 13380-84-2
CAS Name: 4-(hydroxymethyl)-1-cyclohexanecarboxylic acid
OPENEYE Name: 4-(hydroxymethyl)cyclohexanecarboxylic acid
IUPAC Name: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid
SYSTEMATIC NAME: 4-(hydroxymethyl)cyclohexane-1-carboxylic acid
MOLECULAR FORMULA: C8H14O3
MOLECULAR WEIGHT: 158.19496
SMILES: C1CC(CCC1CO)C(=O)O
Structure:

CAS RN: 13371-64-7
CAS Name: N-[(4-methoxyphenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-methoxyphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)OC.Cl
Structure:

CAS RN: 68397-93-3
CAS Name: N-[(4-methoxyphenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-methoxyphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-methoxyphenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-methoxyphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H22ClNO
MOLECULAR WEIGHT: 291.81568
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)OC.Cl
Structure:

CAS RN: 13371-62-5
CAS Name: N-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-methyl-1-phenyl-N-(p-tolylmethyl)propan-2-amine hydrochloride
IUPAC Name: N-methyl-N-[(4-methylphenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C18H24ClN
MOLECULAR WEIGHT: 289.84286
SMILES: CC1=CC=C(C=C1)CN(C)C(C)CC2=CC=CC=C2.Cl
Structure:

CAS RN: 13371-60-3
CAS Name: N-[(4-methylphenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: 1-phenyl-N-(p-tolylmethyl)propan-2-amine hydrochloride
IUPAC Name: N-[(4-methylphenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-methylphenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H22ClN
MOLECULAR WEIGHT: 275.81628
SMILES: CC1=CC=C(C=C1)CNC(C)CC2=CC=CC=C2.Cl
Structure:

CAS RN: 13371-56-7
CAS Name: N-[(4-chlorophenyl)methyl]-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(4-chlorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(4-chlorophenyl)methyl]-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(4-chlorophenyl)methyl]-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C16H19Cl2N
MOLECULAR WEIGHT: 296.23476
SMILES: CC(CC1=CC=CC=C1)NCC2=CC=C(C=C2)Cl.Cl
Structure:

CAS RN: 13364-81-3
CAS Name: acetic acid [2-(methylthio)-1,3-dioxo-2-indenyl] ester
OPENEYE Name: (2-methylsulfanyl-1,3-dioxo-indan-2-yl) acetate
IUPAC Name: (2-methylsulfanyl-1,3-dioxoinden-2-yl) acetate
SYSTEMATIC NAME: [2-methylsulfanyl-1,3-bis(oxidanylidene)inden-2-yl] ethanoate
MOLECULAR FORMULA: C12H10O4S
MOLECULAR WEIGHT: 250.2704
SMILES: CC(=O)OC1(C(=O)C2=CC=CC=C2C1=O)SC
Structure:

CAS RN: 13364-34-6
CAS Name: N-[(2-chlorophenyl)methyl]-N-methyl-1-phenyl-2-propanamine hydrochloride
OPENEYE Name: N-[(2-chlorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
IUPAC Name: N-[(2-chlorophenyl)methyl]-N-methyl-1-phenylpropan-2-amine hydrochloride
SYSTEMATIC NAME: N-[(2-chlorophenyl)methyl]-N-methyl-1-phenyl-propan-2-amine hydrochloride
MOLECULAR FORMULA: C17H21Cl2N
MOLECULAR WEIGHT: 310.26134
SMILES: CC(CC1=CC=CC=C1)N(C)CC2=CC=CC=C2Cl.Cl
Structure:

CAS RN: 13349-37-6
CAS Name: 5-(dimethylamino)-2-(1-naphthalenyl)-N-[oxo(propylamino)methyl]-2-propan-2-ylpentanamide
OPENEYE Name: 5-(dimethylamino)-2-isopropyl-2-(1-naphthyl)-N-(propylcarbamoyl)pentanamide
IUPAC Name: 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-yl-N-(propylcarbamoyl)pentanamide
SYSTEMATIC NAME: 5-(dimethylamino)-2-naphthalen-1-yl-2-propan-2-yl-N-(propylcarbamoyl)pentanamide
MOLECULAR FORMULA: C24H35N3O2
MOLECULAR WEIGHT: 397.5536
SMILES: CCCNC(=O)NC(=O)C(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(C)C
Structure:

CAS RN: 13345-58-9
CAS Name: 2-(12-methyl-7-benzo[a]anthracenyl)ethanol
OPENEYE Name: 2-(12-methylbenzo[a]anthracen-7-yl)ethanol
IUPAC Name: 2-(12-methylbenzo[a]anthracen-7-yl)ethanol
SYSTEMATIC NAME: 2-(12-methylbenzo[a]anthracen-7-yl)ethanol
MOLECULAR FORMULA: C21H18O
MOLECULAR WEIGHT: 286.36702
SMILES: CC1=C2C(=C(C3=CC=CC=C13)CCO)C=CC4=CC=CC=C42
Structure:

CAS RN: 13340-60-8
CAS Name: 3,5-dichloro-2-hydroxybenzoic acid phenyl ester
OPENEYE Name: phenyl 3,5-dichloro-2-hydroxy-benzoate
IUPAC Name: phenyl 3,5-dichloro-2-hydroxybenzoate
SYSTEMATIC NAME: phenyl 3,5-bis(chloranyl)-2-oxidanyl-benzoate
MOLECULAR FORMULA: C13H8Cl2O3
MOLECULAR WEIGHT: 283.10682
SMILES: C1=CC=C(C=C1)OC(=O)C2=CC(=CC(=C2O)Cl)Cl
Structure:

CAS RN: 13337-64-9
CAS Name: 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylic acid ethyl ester
OPENEYE Name: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
IUPAC Name: ethyl 2,7,7-trimethyl-5-oxo-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
SYSTEMATIC NAME: ethyl 2,7,7-trimethyl-5-oxidanylidene-4-phenyl-1,4,6,8-tetrahydroquinoline-3-carboxylate
MOLECULAR FORMULA: C21H25NO3
MOLECULAR WEIGHT: 339.4281
SMILES: CCOC(=O)C1=C(NC2=C(C1C3=CC=CC=C3)C(=O)CC(C2)(C)C)C
Structure:

CAS RN: 13331-81-2
CAS Name: 4,5-bis(mercaptomethyl)-2-methyl-3-pyridinol hydrochloride
OPENEYE Name: 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol hydrochloride
IUPAC Name: 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol hydrochloride
SYSTEMATIC NAME: 2-methyl-4,5-bis(sulfanylmethyl)pyridin-3-ol hydrochloride
MOLECULAR FORMULA: C8H12ClNOS2
MOLECULAR WEIGHT: 237.76998
SMILES: CC1=NC=C(C(=C1O)CS)CS.Cl
Structure:

CAS RN: 13330-31-9
CAS Name: 3-(2,4-dichlorophenoxy)-2-methylpropanoic acid
OPENEYE Name: 3-(2,4-dichlorophenoxy)-2-methyl-propanoic acid
IUPAC Name: 3-(2,4-dichlorophenoxy)-2-methylpropanoic acid
SYSTEMATIC NAME: 3-[2,4-bis(chloranyl)phenoxy]-2-methyl-propanoic acid
MOLECULAR FORMULA: C10H10Cl2O3
MOLECULAR WEIGHT: 249.0906
SMILES: CC(COC1=C(C=C(C=C1)Cl)Cl)C(=O)O
Structure:

CAS RN: 13326-45-9
CAS Name: 2-(1-naphthalenyl)-5-(1-piperidinyl)-2-propan-2-ylpentanamide
OPENEYE Name: 2-isopropyl-2-(1-naphthyl)-5-(1-piperidyl)pentanamide
IUPAC Name: 2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-ylpentanamide
SYSTEMATIC NAME: 2-naphthalen-1-yl-5-piperidin-1-yl-2-propan-2-yl-pentanamide
MOLECULAR FORMULA: C23H32N2O
MOLECULAR WEIGHT: 352.51298
SMILES: CC(C)C(CCCN1CCCCC1)(C2=CC=CC3=CC=CC=C32)C(=O)N
Structure:

CAS RN: 13326-41-5
CAS Name: 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-(1-naphthalenyl)pentanamide
OPENEYE Name: 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-(1-naphthyl)pentanamide
IUPAC Name: 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-ylpentanamide
SYSTEMATIC NAME: 5-(dimethylamino)-2-[3-(dimethylamino)propyl]-2-naphthalen-1-yl-pentanamide
MOLECULAR FORMULA: C22H33N3O
MOLECULAR WEIGHT: 355.51692
SMILES: CN(C)CCCC(CCCN(C)C)(C1=CC=CC2=CC=CC=C21)C(=O)N
Structure:

CAS RN: 13324-60-2
CAS Name: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methyl-2-propyn-1-amine
OPENEYE Name: N-methyl-N-(norbornan-2-ylmethyl)prop-2-yn-1-amine
IUPAC Name: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methylprop-2-yn-1-amine
SYSTEMATIC NAME: N-(3-bicyclo[2.2.1]heptanylmethyl)-N-methyl-prop-2-yn-1-amine
MOLECULAR FORMULA: C12H19N
MOLECULAR WEIGHT: 177.28596
SMILES: CN(CC#C)CC1CC2CCC1C2
Structure:

CAS RN: 13324-59-9
CAS Name: N-(1-cyclohex-3-enylmethyl)-N-methyl-2-propyn-1-amine
OPENEYE Name: N-(cyclohex-3-en-1-ylmethyl)-N-methyl-prop-2-yn-1-amine
IUPAC Name: N-(cyclohex-3-en-1-ylmethyl)-N-methylprop-2-yn-1-amine
SYSTEMATIC NAME: N-(cyclohex-3-en-1-ylmethyl)-N-methyl-prop-2-yn-1-amine
MOLECULAR FORMULA: C11H17N
MOLECULAR WEIGHT: 163.25938
SMILES: CN(CC#C)CC1CCC=CC1
Structure:

CAS RN: 13324-55-5
CAS Name: 1-cyclohexylethylhydrazine
OPENEYE Name: 1-cyclohexylethylhydrazine
IUPAC Name: 1-cyclohexylethylhydrazine
SYSTEMATIC NAME: 1-cyclohexylethyldiazane
MOLECULAR FORMULA: C8H18N2
MOLECULAR WEIGHT: 142.24192
SMILES: CC(C1CCCCC1)NN
Structure:

CAS RN: 13324-54-4
CAS Name: 1-cyclohex-3-enylmethylhydrazine
OPENEYE Name: cyclohex-3-en-1-ylmethylhydrazine
IUPAC Name: cyclohex-3-en-1-ylmethylhydrazine
SYSTEMATIC NAME: cyclohex-3-en-1-ylmethyldiazane
MOLECULAR FORMULA: C7H14N2
MOLECULAR WEIGHT: 126.19946
SMILES: C1CC(CC=C1)CNN
Structure:

CAS RN: 13324-51-1
CAS Name: 4-methylheptan-2-ylhydrazine
OPENEYE Name: 1,3-dimethylhexylhydrazine
IUPAC Name: 4-methylheptan-2-ylhydrazine
SYSTEMATIC NAME: 4-methylheptan-2-yldiazane
MOLECULAR FORMULA: C8H20N2
MOLECULAR WEIGHT: 144.2578
SMILES: CCCC(C)CC(C)NN
Structure:

CAS RN: 13324-50-0
CAS Name: 4-methylhexan-2-ylhydrazine
OPENEYE Name: 1,3-dimethylpentylhydrazine
IUPAC Name: 4-methylhexan-2-ylhydrazine
SYSTEMATIC NAME: 4-methylhexan-2-yldiazane
MOLECULAR FORMULA: C7H18N2
MOLECULAR WEIGHT: 130.23122
SMILES: CCC(C)CC(C)NN
Structure:

CAS RN: 13322-69-5
CAS Name: 5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
OPENEYE Name: 5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
IUPAC Name: 5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SYSTEMATIC NAME: 5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
MOLECULAR FORMULA: C11H8N4O
MOLECULAR WEIGHT: 212.20742
SMILES: C1=CC=C(C=C1)C2=CC(=O)N3C(=N2)N=CN3
Structure:

CAS RN: 13319-40-9
CAS Name: (2-chlorophenyl)methyl-[2-[[2-[2-(diethylamino)ethylamino]-1,2-dioxoethyl]amino]ethyl]-diethylammonium chloride
OPENEYE Name: (2-chlorophenyl)methyl-[2-[[2-[2-(diethylamino)ethylamino]-2-oxo-acetyl]amino]ethyl]-diethyl-ammonium chloride
IUPAC Name: (2-chlorophenyl)methyl-[2-[[2-[2-(diethylamino)ethylamino]-2-oxoacetyl]amino]ethyl]-diethylazanium chloride
SYSTEMATIC NAME: (2-chlorophenyl)methyl-[2-[[2-[2-(diethylamino)ethylamino]-2-oxidanylidene-ethanoyl]amino]ethyl]-diethyl-azanium chloride
MOLECULAR FORMULA: C21H36Cl2N4O2
MOLECULAR WEIGHT: 447.44214
SMILES: CCN(CC)CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1Cl.[Cl-]
Structure:

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