4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate

C137H180Cl2N26O4+8 — CID 157098042

About 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate (PubChem CID 157098042) has the molecular formula C137H180Cl2N26O4+8 and a molecular weight of 2326.03 g/mol. Its IUPAC name is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate.

Molecular Properties

• Compound Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate
• PubChem CID: 157098042
• Molecular Formula: C137H180Cl2N26O4+8
• Molecular Weight: 2326.03 g/mol
• Exact Mass: 2323.40
• IUPAC Name: 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate
• SMILES: C.C.C.C.C.C.C.C.C.CC(=O)[O-].CN(N=Cc1cc[n+](C)cc1)c1ccc(Cl)cc1.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.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.C[n+]1ccccc1C=NN1CCc2ccccc21
• InChI: InChI=1S/C15H18N3O.C15H16N3.2C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.C2H4O2.9CH4/c1-17-10-8-13(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;1-17-9-7-12(8-10-17)11-16-18(2)14-5-3-13(15)4-6-14;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;1-2(3)4;;;;;;;;;/h4-12H,1-3H3;2-8,10,12H,9,11H2,1H3;2*3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;1H3,(H,3,4);9*1H4/q6*+1;;;+1;;;;;;;;;;/p+1
• InChIKey: SYIDNHJJQHDZNO-UHFFFAOYSA-O
• XLogP: 24.41
• TPSA: 268.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 21
• Rotatable Bonds: 25
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2326.03
LogP ≤ 5	24.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	21

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;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate?

The IUPAC name of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate (CID 157098042) is 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate.

What is the SMILES notation for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate?

The canonical SMILES for 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate is C.C.C.C.C.C.C.C.C.CC(=O)[O-].CN(N=Cc1cc[n+](C)cc1)c1ccc(Cl)cc1.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.C[n+]1ccc(C=Cc2ccc(N)cc2)cc1.C[n+]1ccccc1C=Cc1ccc(N)cc1.C[n+]1ccccc1C=NN1CCc2ccccc21.

What is the InChIKey of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate?

The InChIKey is SYIDNHJJQHDZNO-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H18N3O.C15H16N3.2C14H15ClN3.2C14H16N3.2C14H14N2.C12H15N4O.C2H4O2.9CH4/c1-17-10-8-13(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;1-17-9-7-12(8-10-17)11-16-18(2)14-5-3-13(15)4-6-14;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;1-2(3)4;;;;;;;;;/h4-12H,1-3H3;2-8,10,12H,9,11H2,1H3;2*3-11H,1-2H3;2*3-12H,1-2H3;2*2-11,15H,1H3;4-9H,1-3H3;1H3,(H,3,4);9*1H4/q6*+1;;;+1;;;;;;;;;;/p+1.

What are the key properties of 4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate?

4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-2-yl)methylideneamino]aniline;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate has a molecular weight of 2326.03 g/mol, XLogP of 24.41, 25 rotatable bonds, 2 hydrogen bond donors, and 21 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;4-chloro-N-methyl-N-[(1-methylpyridin-1-ium-4-yl)methylideneamino]aniline;N-(2,3-dihydroindol-1-yl)-1-(1-methylpyridin-1-ium-2-yl)methanimine;(1,3-dimethylimidazol-1-ium-2-yl)-(4-methoxyphenyl)diazene;methane;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;acetate is sourced from PubChem (CID 157098042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).