2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone

C134H147Br10Cl5N18O12+8 — CID 159958846

About 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone

2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone (PubChem CID 159958846) has the molecular formula C134H147Br10Cl5N18O12+8 and a molecular weight of 3178.07 g/mol. Its IUPAC name is 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone.

Molecular Properties

• Compound Name: 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone
• PubChem CID: 159958846
• Molecular Formula: C134H147Br10Cl5N18O12+8
• Molecular Weight: 3178.07 g/mol
• Exact Mass: 3164.17
• IUPAC Name: 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone
• SMILES: CC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)CC1.CC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)CC1.C[n+]1ccc(CC(=O)N2CCC([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1.C[n+]1ccc(CC(=O)N2CCC([C@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1.C[n+]1ccc(CC(=O)N2CCN([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1
• InChI: InChI=1S/2C27H32Br2ClN4O3.2C27H28Br2ClN3O2.C26H27Br2ClN4O2/c2*1-17(35)31-6-4-18(5-7-31)12-24(36)32-8-10-33(11-9-32)27-25-19(14-22(30)15-23(25)29)2-3-20-13-21(28)16-34(37)26(20)27;2*1-31-8-4-17(5-9-31)12-24(34)32-10-6-18(7-11-32)26-25-19(14-22(30)15-23(25)29)2-3-20-13-21(28)16-33(35)27(20)26;1-30-6-4-17(5-7-30)12-23(34)31-8-10-32(11-9-31)26-24-18(14-21(29)15-22(24)28)2-3-19-13-20(27)16-33(35)25(19)26/h2*13-16,18,27,37H,2-12H2,1H3;2*4-5,8-9,13-16,18,26,35H,2-3,6-7,10-12H2,1H3;4-7,13-16,26,35H,2-3,8-12H2,1H3/q2*+1;3*+2/t2*27-;3*26-/m10101/s1
• InChIKey: CDUVZLXOQULZFJ-SYFDFOCZSA-N
• XLogP: 22.38
• TPSA: 284.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 15
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3178.07
LogP ≤ 5	22.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone?

The IUPAC name of 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone (CID 159958846) is 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone.

What is the SMILES notation for 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone?

The canonical SMILES for 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone is CC(=O)N1CCC(CC(=O)N2CCN([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)CC1.CC(=O)N1CCC(CC(=O)N2CCN([C@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)CC1.C[n+]1ccc(CC(=O)N2CCC([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1.C[n+]1ccc(CC(=O)N2CCC([C@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1.C[n+]1ccc(CC(=O)N2CCN([C@@H]3c4c(Br)cc(Cl)cc4CCc4cc(Br)c[n+](O)c43)CC2)cc1.

What is the InChIKey of 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone?

The InChIKey is CDUVZLXOQULZFJ-SYFDFOCZSA-N. The full InChI is InChI=1S/2C27H32Br2ClN4O3.2C27H28Br2ClN3O2.C26H27Br2ClN4O2/c2*1-17(35)31-6-4-18(5-7-31)12-24(36)32-8-10-33(11-9-32)27-25-19(14-22(30)15-23(25)29)2-3-20-13-21(28)16-34(37)26(20)27;2*1-31-8-4-17(5-9-31)12-24(34)32-10-6-18(7-11-32)26-25-19(14-22(30)15-23(25)29)2-3-20-13-21(28)16-33(35)27(20)26;1-30-6-4-17(5-7-30)12-23(34)31-8-10-32(11-9-31)26-24-18(14-21(29)15-22(24)28)2-3-19-13-20(27)16-33(35)25(19)26/h2*13-16,18,27,37H,2-12H2,1H3;2*4-5,8-9,13-16,18,26,35H,2-3,6-7,10-12H2,1H3;4-7,13-16,26,35H,2-3,8-12H2,1H3/q2*+1;3*+2/t2*27-;3*26-/m10101/s1.

What are the key properties of 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone?

2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone has a molecular weight of 3178.07 g/mol, XLogP of 22.38, 15 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-acetylpiperidin-4-yl)-1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;2-(1-acetylpiperidin-4-yl)-1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperazin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2S)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone;1-[4-[(2R)-6,15-dibromo-13-chloro-4-hydroxy-4-azoniatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-(1-methylpyridin-1-ium-4-yl)ethanone is sourced from PubChem (CID 159958846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).