8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide

C83H85I3N15O3- — CID 161268157

About 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide

8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide (PubChem CID 161268157) has the molecular formula C83H85I3N15O3- and a molecular weight of 1721.41 g/mol. Its IUPAC name is 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide.

Molecular Properties

• Compound Name: 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide
• PubChem CID: 161268157
• Molecular Formula: C83H85I3N15O3-
• Molecular Weight: 1721.41 g/mol
• Exact Mass: 1720.41
• IUPAC Name: 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide
• SMILES: C.C.CC(=O)N(C)c1ccccc1-c1ccnc2[nH]ccc12.CC(=O)N(C)c1ccccc1C.CC1c2c[nH]c3nccc(c23)-c2ccccc2N1C.Cc1c2cnc3[nH]ccc(c4ccccc4[n+]1C)c32.Cc1ccnc2[nH]ccc12.Cc1nc2ccccc2c2cc[nH]c3ncc1c32.I[I-]I.[OH-]
• InChI: InChI=1S/C16H15N3O.C16H15N3.C16H13N3.C15H11N3.C10H13NO.C8H8N2.2CH4.I3.H2O/c1-11(20)19(2)15-6-4-3-5-13(15)12-7-9-17-16-14(12)8-10-18-16;2*1-10-13-9-18-16-15(13)12(7-8-17-16)11-5-3-4-6-14(11)19(10)2;1-9-12-8-17-15-14(12)11(6-7-16-15)10-4-2-3-5-13(10)18-9;1-8-6-4-5-7-10(8)11(3)9(2)12;1-6-2-4-9-8-7(6)3-5-10-8;;;1-3-2;/h3-10H,1-2H3,(H,17,18);3-10H,1-2H3,(H,17,18);3-9H,1-2H3;2-8H,1H3,(H,16,17);4-7H,1-3H3;2-5H,1H3,(H,9,10);2*1H4;;1H2/q;;;;;;;;-1
• InChIKey: XWUXQMNECRTMLG-UHFFFAOYSA-N
• XLogP: 17.25
• TPSA: 234.03 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 3
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1721.41
LogP ≤ 5	17.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide?

The IUPAC name of 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide (CID 161268157) is 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide.

What is the SMILES notation for 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide?

The canonical SMILES for 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide is C.C.CC(=O)N(C)c1ccccc1-c1ccnc2[nH]ccc12.CC(=O)N(C)c1ccccc1C.CC1c2c[nH]c3nccc(c23)-c2ccccc2N1C.Cc1c2cnc3[nH]ccc(c4ccccc4[n+]1C)c32.Cc1ccnc2[nH]ccc12.Cc1nc2ccccc2c2cc[nH]c3ncc1c32.I[I-]I.[OH-].

What is the InChIKey of 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide?

The InChIKey is XWUXQMNECRTMLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O.C16H15N3.C16H13N3.C15H11N3.C10H13NO.C8H8N2.2CH4.I3.H2O/c1-11(20)19(2)15-6-4-3-5-13(15)12-7-9-17-16-14(12)8-10-18-16;2*1-10-13-9-18-16-15(13)12(7-8-17-16)11-5-3-4-6-14(11)19(10)2;1-9-12-8-17-15-14(12)11(6-7-16-15)10-4-2-3-5-13(10)18-9;1-8-6-4-5-7-10(8)11(3)9(2)12;1-6-2-4-9-8-7(6)3-5-10-8;;;1-3-2;/h3-10H,1-2H3,(H,17,18);3-10H,1-2H3,(H,17,18);3-9H,1-2H3;2-8H,1H3,(H,16,17);4-7H,1-3H3;2-5H,1H3,(H,9,10);2*1H4;;1H2/q;;;;;;;;-1;.

What are the key properties of 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide?

8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide has a molecular weight of 1721.41 g/mol, XLogP of 17.25, 3 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 8,9-dimethyl-12,14-diaza-8-azoniatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;8,9-dimethyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,10,13,15-heptaene;methane;N-methyl-N-(2-methylphenyl)acetamide;4-methyl-1H-pyrrolo[2,3-b]pyridine;N-methyl-N-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]acetamide;9-methyl-8,12,14-triazatetracyclo[8.6.1.02,7.013,17]heptadeca-1(17),2,4,6,8,10,12,15-octaene;hydroxide;triiodide is sourced from PubChem (CID 161268157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).