4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride

C135H158Cl5N27O23S4 — CID 158295266

About 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride (PubChem CID 158295266) has the molecular formula C135H158Cl5N27O23S4 and a molecular weight of 2832.45 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride.

Molecular Properties

• Compound Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride
• PubChem CID: 158295266
• Molecular Formula: C135H158Cl5N27O23S4
• Molecular Weight: 2832.45 g/mol
• Exact Mass: 2827.93
• IUPAC Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride
• SMILES: CC(=O)[O-].CC(=O)[O-].CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.CN(N=Cc1cccc[n+]1C)c1ccccc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.C[n+]1ccccc1C=NN1CCc2ccccc21.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.[Cl-].[Cl-].[Cl-]
• InChI: InChI=1S/C15H13ClN4O.C15H18N3O.C15H16N3.C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.2C2H4O2.4CH4O4S.3ClH/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-17-10-5-4-7-14(17)12-16-18-11-9-13-6-2-3-8-15(13)18;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-11-7-6-10-14(16)12-15-17(2)13-8-4-3-5-9-13;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;2*1-2(3)4;4*1-6(3,4)5-2;;;/h3-9H,1-2H3;4-12H,1-3H3;2-8,10,12H,9,11H2,1H3;3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;2*1H3,(H,3,4);4*2H,1H3;3*1H/q;5*+1;;;+1;;;;;;;;;/p-6/b18-17+
• InChIKey: JVFZJEXFLJKWHR-LOZIZVODSA-H
• XLogP: 2.55
• TPSA: 608.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 41
• Rotatable Bonds: 28
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2832.45
LogP ≤ 5	2.55
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride?

The IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride (CID 158295266) is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride.

What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride?

The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride is CC(=O)[O-].CC(=O)[O-].CN(N=Cc1cc[n+](C)cc1)c1ccccc1.CN(N=Cc1cccc[n+]1C)c1ccc(Cl)cc1.CN(N=Cc1cccc[n+]1C)c1ccccc1.COc1ccc(/N=N/c2n(C)cc[n+]2C)cc1.COc1ccc(N(C)N=Cc2cc[n+](C)cc2)cc1.CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].CS(=O)(=O)O[O-].C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.C[n+]1ccccc1C=NN1CCc2ccccc21.Cn1c2c(/N=N/c3ccc(Cl)cc3)c(O)ccc2c[n+]1C.[Cl-].[Cl-].[Cl-].

What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride?

The InChIKey is JVFZJEXFLJKWHR-LOZIZVODSA-H. The full InChI is InChI=1S/C15H13ClN4O.C15H18N3O.C15H16N3.C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.2C2H4O2.4CH4O4S.3ClH/c1-19-9-10-3-8-13(21)14(15(10)20(19)2)18-17-12-6-4-11(16)5-7-12;1-17-10-8-13(9-11-17)12-16-18(2)14-4-6-15(19-3)7-5-14;1-17-10-5-4-7-14(17)12-16-18-11-9-13-6-2-3-8-15(13)18;1-17-10-4-3-5-14(17)11-16-18(2)13-8-6-12(15)7-9-13;1-16-11-7-6-10-14(16)12-15-17(2)13-8-4-3-5-9-13;1-16-10-8-13(9-11-16)12-15-17(2)14-6-4-3-5-7-14;1-16-10-8-13(9-11-16)3-2-12-4-6-14(15)7-5-12;1-16-11-3-2-4-14(16)10-7-12-5-8-13(15)9-6-12;1-15-8-9-16(2)12(15)14-13-10-4-6-11(17-3)7-5-10;2*1-2(3)4;4*1-6(3,4)5-2;;;/h3-9H,1-2H3;4-12H,1-3H3;2-8,10,12H,9,11H2,1H3;3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;2*1H3,(H,3,4);4*2H,1H3;3*1H/q;5*+1;;;+1;;;;;;;;;/p-6/b18-17+;;;;;;;;;;;;;;;;;.

What are the key properties of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride?

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride has a molecular weight of 2832.45 g/mol, XLogP of 2.55, 28 rotatable bonds, 3 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;7-[(4-chlorophenyl)diazenyl]-1,2-dimethylindazol-2-ium-6-ol;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methanesulfonoperoxoate;4-methoxy-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;4-[2-(1-methylpyridin-1-ium-2-yl)ethenyl]aniline;4-[2-(1-methylpyridin-1-ium-4-yl)ethenyl]aniline;diacetate;trichloride is sourced from PubChem (CID 158295266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).