CAS RN: 6563-06-0
CAS Name: N,N-bis(2-chloroethyl)-4-[(3-methyl-1-pyridin-1-iumyl)methyl]aniline; 4-methylbenzenesulfonate
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
IUPAC Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C24H28Cl2N2O3S
MOLECULAR WEIGHT: 495.46172
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 6563-04-8
CAS Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-4-pyridin-1-iumyl]ethanone; 4-methylbenzenesulfonate
OPENEYE Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-yl]ethanone; 4-methylbenzenesulfonate
IUPAC Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-yl]ethanone; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-yl]ethanone; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C25H28Cl2N2O4S
MOLECULAR WEIGHT: 523.47182
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 387-05-3
CAS Name: 6-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine hydrobromide
OPENEYE Name: 6-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine hydrobromide
IUPAC Name: 6-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine hydrobromide
SYSTEMATIC NAME: 6-(bromomethyl)-5-(4-chlorophenyl)pyrimidine-2,4-diamine hydrobromide
MOLECULAR FORMULA: C11H11Br2ClN4
MOLECULAR WEIGHT: 394.49284
SMILES: C1=CC(=CC=C1C2=C(N=C(N=C2N)N)CBr)Cl.Br
Structure:
CAS RN: 15536-59-1
CAS Name: 5-[(4-ethyl-3,5-dimethyl-2-pyrrolylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester hydrobromide
OPENEYE Name: ethyl 5-[(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrobromide
IUPAC Name: ethyl 5-[(4-ethyl-3,5-dimethylpyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrobromide
SYSTEMATIC NAME: ethyl 5-[(4-ethyl-3,5-dimethyl-pyrrol-2-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate hydrobromide
MOLECULAR FORMULA: C18H25BrN2O2
MOLECULAR WEIGHT: 381.3073
SMILES: CCC1=C(C(=CC2=C(C(=C(N2)C)C(=O)OCC)C)N=C1C)C.Br
Structure:
CAS RN: 16176-30-0
CAS Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone hydrobromide
OPENEYE Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one hydrobromide
IUPAC Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one hydrobromide
SYSTEMATIC NAME: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one hydrobromide
MOLECULAR FORMULA: C17H22BrNO3
MOLECULAR WEIGHT: 368.26548
SMILES: CCC1=C(NC(=C1C)C=C2C=C(C(=O)C(=C2)OC)OC)C.Br
Structure:
CAS RN: 16176-28-6
CAS Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-cyclohexa-2,5-dienone hydrobromide
OPENEYE Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]cyclohexa-2,5-dien-1-one hydrobromide
IUPAC Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexa-2,5-dien-1-one hydrobromide
SYSTEMATIC NAME: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]cyclohexa-2,5-dien-1-one hydrobromide
MOLECULAR FORMULA: C15H18BrNO
MOLECULAR WEIGHT: 308.21352
SMILES: CCC1=C(NC(=C1C)C=C2C=CC(=O)C=C2)C.Br
Structure:
CAS RN: 16176-29-7
CAS Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-methoxy-1-cyclohexa-2,5-dienone hydrobromide
OPENEYE Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-methoxy-cyclohexa-2,5-dien-1-one hydrobromide
IUPAC Name: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-methoxycyclohexa-2,5-dien-1-one hydrobromide
SYSTEMATIC NAME: 4-[(4-ethyl-3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-methoxy-cyclohexa-2,5-dien-1-one hydrobromide
MOLECULAR FORMULA: C16H20BrNO2
MOLECULAR WEIGHT: 338.2395
SMILES: CCC1=C(NC(=C1C)C=C2C=CC(=O)C(=C2)OC)C.Br
Structure:
CAS RN: 15536-56-8
CAS Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole hydrobromide
OPENEYE Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-4-ethyl-3,5-dimethyl-pyrrole hydrobromide
IUPAC Name: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethylpyrrole hydrobromide
SYSTEMATIC NAME: 2-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-ethyl-3,5-dimethyl-pyrrole hydrobromide
MOLECULAR FORMULA: C15H21BrN2
MOLECULAR WEIGHT: 309.24464
SMILES: CCC1=C(C(=CC2=C(C=C(N2)C)C)N=C1C)C.Br
Structure:
CAS RN: 5774-28-7
CAS Name: [[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]thiourea hydrochloride
OPENEYE Name: [[(2E)-2-(diaminomethylenehydrazono)propylidene]amino]thiourea hydrochloride
IUPAC Name: [[(2E)-2-(diaminomethylidenehydrazinylidene)propylidene]amino]thiourea hydrochloride
SYSTEMATIC NAME: 1-[[(2E)-2-[bis(azanyl)methylidenehydrazinylidene]propylidene]amino]thiourea hydrochloride
MOLECULAR FORMULA: C5H12ClN7S
MOLECULAR WEIGHT: 237.71368
SMILES: C/C(=N\N=C(N)N)/C=NNC(=S)N.Cl
Structure:
CAS RN: 55180-87-5
CAS Name: (NE)-N-diazo-8-quinolinesulfonamide
OPENEYE Name: (NE)-N-diazoquinoline-8-sulfonamide
IUPAC Name: (NE)-N-diazoquinoline-8-sulfonamide
SYSTEMATIC NAME: (NE)-N-diazoquinoline-8-sulfonamide
MOLECULAR FORMULA: C9H6N4O2S
MOLECULAR WEIGHT: 234.23454
SMILES: C1=CC2=C(C(=C1)S(=O)(=O)N=[N+]=[N-])N=CC=C2
Structure:
CAS RN: 94214-68-3
CAS Name: 3-ethyl-3-azoniabicyclo[3.3.1]non-3-ene perchlorate
OPENEYE Name: 3-ethyl-3-azoniabicyclo[3.3.1]non-3-ene perchlorate
IUPAC Name: 3-ethyl-3-azoniabicyclo[3.3.1]non-3-ene perchlorate
SYSTEMATIC NAME: 3-ethyl-3-azoniabicyclo[3.3.1]non-3-ene perchlorate
MOLECULAR FORMULA: C10H18ClNO4
MOLECULAR WEIGHT: 251.70722
SMILES: CC[N+]1=CC2CCCC(C2)C1.[O-]Cl(=O)(=O)=O
Structure:
CAS RN: 28141-38-0
CAS Name: (N-methylanilino)methanesulfonic acid; sodium
OPENEYE Name: (N-methylanilino)methanesulfonic acid; sodium
IUPAC Name: (N-methylanilino)methanesulfonic acid; sodium
SYSTEMATIC NAME: [methyl(phenyl)amino]methanesulfonic acid; sodium
MOLECULAR FORMULA: C8H11NNaO3S
MOLECULAR WEIGHT: 224.23261
SMILES: CN(CS(=O)(=O)O)C1=CC=CC=C1.[Na]
Structure:
CAS RN: 6756-64-5
CAS Name: N,N-bis(2-chloroethyl)-4-[(4-methyl-1-quinolin-1-iumyl)methyl]aniline; 4-methylbenzenesulfonate
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
IUPAC Name: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C28H30Cl2N2O3S
MOLECULAR WEIGHT: 545.5204
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=[N+](C2=CC=CC=C12)CC3=CC=C(C=C3)N(CCCl)CCCl
Structure:
CAS RN: 6746-19-6
CAS Name: N-(diaminomethylidene)-1-methyl-4-pyridin-1-iumcarboxamide iodide
OPENEYE Name: N-(diaminomethylene)-1-methyl-pyridin-1-ium-4-carboxamide iodide
IUPAC Name: N-(diaminomethylidene)-1-methylpyridin-1-ium-4-carboxamide iodide
SYSTEMATIC NAME: N-[bis(azanyl)methylidene]-1-methyl-pyridin-1-ium-4-carboxamide iodide
MOLECULAR FORMULA: C8H11IN4O
MOLECULAR WEIGHT: 306.10361
SMILES: C[N+]1=CC=C(C=C1)C(=O)N=C(N)N.[I-]
Structure:
CAS RN: 6563-05-9
CAS Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-3-pyridin-1-iumyl]ethanone; 4-methylbenzenesulfonate
OPENEYE Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-3-yl]ethanone; 4-methylbenzenesulfonate
IUPAC Name: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-3-yl]ethanone; 4-methylbenzenesulfonate
SYSTEMATIC NAME: 1-[1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-3-yl]ethanone; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C25H28Cl2N2O4S
MOLECULAR WEIGHT: 523.47182
SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].CC(=O)C1=C[N+](=CC=C1)CC2=CC=C(C=C2)N(CCCl)CCCl
Structure:
CAS RN: 7237-85-6
CAS Name: 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]-4-pyridin-1-iumcarboxylic acid ethyl ester; 4-methylbenzenesulfonate
OPENEYE Name: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate
IUPAC Name: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate
SYSTEMATIC NAME: ethyl 1-[[4-[bis(2-chloroethyl)amino]phenyl]methyl]pyridin-1-ium-4-carboxylate; 4-methylbenzenesulfonate
MOLECULAR FORMULA: C26H30Cl2N2O5S
MOLECULAR WEIGHT: 553.4978
SMILES: CCOC(=O)C1=CC=[N+](C=C1)CC2=CC=C(C=C2)N(CCCl)CCCl.CC1=CC=C(C=C1)S(=O)(=O)[O-]
Structure:
CAS RN: 18471-75-5
CAS Name: N,N-bis(2-chloroethyl)-4-[(3-chlorophenyl)iminomethyl]-2-methoxyaniline hydrochloride
OPENEYE Name: N,N-bis(2-chloroethyl)-4-[(3-chlorophenyl)iminomethyl]-2-methoxy-aniline hydrochloride
IUPAC Name: N,N-bis(2-chloroethyl)-4-[(3-chlorophenyl)iminomethyl]-2-methoxyaniline hydrochloride
SYSTEMATIC NAME: N,N-bis(2-chloroethyl)-4-[(3-chlorophenyl)iminomethyl]-2-methoxy-aniline hydrochloride
MOLECULAR FORMULA: C18H20Cl4N2O
MOLECULAR WEIGHT: 422.1762
SMILES: COC1=C(C=CC(=C1)C=NC2=CC(=CC=C2)Cl)N(CCCl)CCCl.Cl
Structure:
CAS RN: 18471-77-7
CAS Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylideneamino]benzoic acid hydrochloride
OPENEYE Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]methyleneamino]benzoic acid hydrochloride
IUPAC Name: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxyphenyl]methylideneamino]benzoic acid hydrochloride
SYSTEMATIC NAME: 4-[[4-[bis(2-chloroethyl)amino]-3-methoxy-phenyl]methylideneamino]benzoic acid hydrochloride
MOLECULAR FORMULA: C19H21Cl3N2O3
MOLECULAR WEIGHT: 431.74064
SMILES: COC1=C(C=CC(=C1)C=NC2=CC=C(C=C2)C(=O)O)N(CCCl)CCCl.Cl
Structure:
CAS RN: 94583-22-9
CAS Name: 6-bromo-7-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium bromide
OPENEYE Name: 6-bromo-7-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium bromide
IUPAC Name: 6-bromo-7-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium bromide
SYSTEMATIC NAME: 6-bromanyl-7-phenyl-6,7-dihydro-5H-pyrazolo[1,2-a]pyrazol-4-ium bromide
MOLECULAR FORMULA: C12H12Br2N2
MOLECULAR WEIGHT: 344.04508
SMILES: C1C(C(N2[N+]1=CC=C2)C3=CC=CC=C3)Br.[Br-]
Structure:
CAS RN: 23199-28-2
CAS Name: 9-[2-[bis(2-hydroxyethyl)amino]ethyl]-3H-purin-6-one hydrochloride
OPENEYE Name: 9-[2-[bis(2-hydroxyethyl)amino]ethyl]-3H-purin-6-one hydrochloride
IUPAC Name: 9-[2-[bis(2-hydroxyethyl)amino]ethyl]-3H-purin-6-one hydrochloride
SYSTEMATIC NAME: 9-[2-[bis(2-hydroxyethyl)amino]ethyl]-3H-purin-6-one hydrochloride
MOLECULAR FORMULA: C11H18ClN5O3
MOLECULAR WEIGHT: 303.74532
SMILES: C1=NC(=O)C2=C(N1)N(C=N2)CCN(CCO)CCO.Cl
Structure:
CAS RN: 41165-06-4
CAS Name: 7-methoxy-1-(2-phenylethenyl)-9H-pyrido[3,4-b]indole hydrochloride
OPENEYE Name: 7-methoxy-1-styryl-9H-pyrido[3,4-b]indole hydrochloride
IUPAC Name: 7-methoxy-1-(2-phenylethenyl)-9H-pyrido[3,4-b]indole hydrochloride
SYSTEMATIC NAME: 7-methoxy-1-(2-phenylethenyl)-9H-pyrido[3,4-b]indole hydrochloride
MOLECULAR FORMULA: C20H17ClN2O
MOLECULAR WEIGHT: 336.81478
SMILES: COC1=CC2=C(C=C1)C3=C(N2)C(=NC=C3)C=CC4=CC=CC=C4.Cl
Structure:
CAS RN: 52336-52-4
CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-trimethylammonium iodide
OPENEYE Name: 2-(3,4-dimethoxyphenyl)ethyl-trimethyl-ammonium iodide
IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-trimethylazanium iodide
SYSTEMATIC NAME: 2-(3,4-dimethoxyphenyl)ethyl-trimethyl-azanium iodide
MOLECULAR FORMULA: C13H22INO2
MOLECULAR WEIGHT: 351.22375
SMILES: C[N+](C)(C)CCC1=CC(=C(C=C1)OC)OC.[I-]
Structure:
CAS RN: 881-26-5
CAS Name: (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride
OPENEYE Name: (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride
IUPAC Name: (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride
SYSTEMATIC NAME: (1S)-7-methoxy-1-methyl-1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride
MOLECULAR FORMULA: C11H16ClNO2
MOLECULAR WEIGHT: 229.70324
SMILES: C[C@H]1C2=CC(=C(C=C2CCN1)O)OC.Cl
Structure:
CAS RN: 4236-31-1
CAS Name: 3-ethyl-3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
OPENEYE Name: 3-ethyl-3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
IUPAC Name: 3-ethyl-3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
SYSTEMATIC NAME: 3-ethyl-3-methyl-3-azoniabicyclo[3.2.2]nonane iodide
MOLECULAR FORMULA: C11H22IN
MOLECULAR WEIGHT: 295.20355
SMILES: CC[N+]1(CC2CCC(C1)CC2)C.[I-]
Structure:
CAS RN: 4186-40-7
CAS Name: 3,3-diethyl-3-azoniabicyclo[2.2.1]heptane iodide
OPENEYE Name: 3,3-diethyl-3-azoniabicyclo[2.2.1]heptane iodide
IUPAC Name: 3,3-diethyl-3-azoniabicyclo[2.2.1]heptane iodide
SYSTEMATIC NAME: 3,3-diethyl-3-azoniabicyclo[2.2.1]heptane iodide
MOLECULAR FORMULA: C10H20IN
MOLECULAR WEIGHT: 281.17697
SMILES: CC[N+]1(CC2CCC1C2)CC.[I-]
Structure:
CAS RN: 4186-41-8
CAS Name: (3R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
OPENEYE Name: (3R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
IUPAC Name: (3R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
SYSTEMATIC NAME: (3R)-3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptane iodide
MOLECULAR FORMULA: C9H18IN
MOLECULAR WEIGHT: 267.15039
SMILES: CC[N@@+]1(CC2CCC1C2)C.[I-]
Structure:
CAS RN: 27466-67-7
CAS Name: N3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
OPENEYE Name: N3-[[4-[bis(2-chloroethyl)amino]phenyl]methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
IUPAC Name: 3-N-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
SYSTEMATIC NAME: N3-[[4-[bis(2-chloroethyl)amino]phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
MOLECULAR FORMULA: C14H20Cl3N7
MOLECULAR WEIGHT: 392.7145
SMILES: CC1=NN=C(N1N)NN=CC2=CC=C(C=C2)N(CCCl)CCCl.Cl
Structure:
CAS RN: 27420-79-7
CAS Name: N3-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
OPENEYE Name: N3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methyleneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
IUPAC Name: 3-N-[[4-[bis(2-chloroethyl)amino]-2-methylphenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
SYSTEMATIC NAME: N3-[[4-[bis(2-chloroethyl)amino]-2-methyl-phenyl]methylideneamino]-5-methyl-1,2,4-triazole-3,4-diamine hydrochloride
MOLECULAR FORMULA: C15H22Cl3N7
MOLECULAR WEIGHT: 406.74108
SMILES: CC1=C(C=CC(=C1)N(CCCl)CCCl)C=NNC2=NN=C(N2N)C.Cl
Structure:
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