4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole

C122H162N12O5+6 — CID 159347673

About 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole

4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole (PubChem CID 159347673) has the molecular formula C122H162N12O5+6 and a molecular weight of 1876.72 g/mol. Its IUPAC name is 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole.

Molecular Properties

• Compound Name: 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole
• PubChem CID: 159347673
• Molecular Formula: C122H162N12O5+6
• Molecular Weight: 1876.72 g/mol
• Exact Mass: 1875.28
• IUPAC Name: 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole
• SMILES: CC(C)CCN1C(=CC=[N+]2CCOCC2)C(C)(C)c2ccccc21.CC1(C)C(=CC=[N+]2CCCCC2)N(CCOc2ccccc2)c2ccccc21.CC1(C)C(=CC=[N+]2CCOCC2)N(CCOc2ccccc2)c2ccccc21.CN1C(=CC=[N+]2CCCC2)C(C)(C)c2ccccc21.CN1C(=CC=[N+]2CCCCC2)C(C)(C)c2ccccc21.CN1C(=CC=[N+]2CCOCC2)C(C)(C)c2ccccc21
• InChI: InChI=1S/C25H31N2O.C24H29N2O2.C21H31N2O.C18H25N2.C17H23N2O.C17H23N2/c1-25(2)22-13-7-8-14-23(22)27(19-20-28-21-11-5-3-6-12-21)24(25)15-18-26-16-9-4-10-17-26;1-24(2)21-10-6-7-11-22(21)26(16-19-28-20-8-4-3-5-9-20)23(24)12-13-25-14-17-27-18-15-25;1-17(2)9-12-23-19-8-6-5-7-18(19)21(3,4)20(23)10-11-22-13-15-24-16-14-22;1-18(2)15-9-5-6-10-16(15)19(3)17(18)11-14-20-12-7-4-8-13-20;1-17(2)14-6-4-5-7-15(14)18(3)16(17)8-9-19-10-12-20-13-11-19;1-17(2)14-8-4-5-9-15(14)18(3)16(17)10-13-19-11-6-7-12-19/h3,5-8,11-15,18H,4,9-10,16-17,19-20H2,1-2H3;3-13H,14-19H2,1-2H3;5-8,10-11,17H,9,12-16H2,1-4H3;5-6,9-11,14H,4,7-8,12-13H2,1-3H3;4-9H,10-13H2,1-3H3;4-5,8-10,13H,6-7,11-12H2,1-3H3/q6*+1
• InChIKey: LGXWYVYBSJRDBP-UHFFFAOYSA-N
• XLogP: 21.85
• TPSA: 83.65 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 17
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1876.72
LogP ≤ 5	21.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole?

The IUPAC name of 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole (CID 159347673) is 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole.

What is the SMILES notation for 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole?

The canonical SMILES for 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole is CC(C)CCN1C(=CC=[N+]2CCOCC2)C(C)(C)c2ccccc21.CC1(C)C(=CC=[N+]2CCCCC2)N(CCOc2ccccc2)c2ccccc21.CC1(C)C(=CC=[N+]2CCOCC2)N(CCOc2ccccc2)c2ccccc21.CN1C(=CC=[N+]2CCCC2)C(C)(C)c2ccccc21.CN1C(=CC=[N+]2CCCCC2)C(C)(C)c2ccccc21.CN1C(=CC=[N+]2CCOCC2)C(C)(C)c2ccccc21.

What is the InChIKey of 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole?

The InChIKey is LGXWYVYBSJRDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N2O.C24H29N2O2.C21H31N2O.C18H25N2.C17H23N2O.C17H23N2/c1-25(2)22-13-7-8-14-23(22)27(19-20-28-21-11-5-3-6-12-21)24(25)15-18-26-16-9-4-10-17-26;1-24(2)21-10-6-7-11-22(21)26(16-19-28-20-8-4-3-5-9-20)23(24)12-13-25-14-17-27-18-15-25;1-17(2)9-12-23-19-8-6-5-7-18(19)21(3,4)20(23)10-11-22-13-15-24-16-14-22;1-18(2)15-9-5-6-10-16(15)19(3)17(18)11-14-20-12-7-4-8-13-20;1-17(2)14-6-4-5-7-15(14)18(3)16(17)8-9-19-10-12-20-13-11-19;1-17(2)14-8-4-5-9-15(14)18(3)16(17)10-13-19-11-6-7-12-19/h3,5-8,11-15,18H,4,9-10,16-17,19-20H2,1-2H3;3-13H,14-19H2,1-2H3;5-8,10-11,17H,9,12-16H2,1-4H3;5-6,9-11,14H,4,7-8,12-13H2,1-3H3;4-9H,10-13H2,1-3H3;4-5,8-10,13H,6-7,11-12H2,1-3H3/q6*+1.

What are the key properties of 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole?

4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole has a molecular weight of 1876.72 g/mol, XLogP of 21.85, 17 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-[3,3-dimethyl-1-(3-methylbutyl)indol-2-ylidene]ethylidene]morpholin-4-ium;4-[2-[3,3-dimethyl-1-(2-phenoxyethyl)indol-2-ylidene]ethylidene]morpholin-4-ium;3,3-dimethyl-1-(2-phenoxyethyl)-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;4-[2-(1,3,3-trimethylindol-2-ylidene)ethylidene]morpholin-4-ium;1,3,3-trimethyl-2-(2-piperidin-1-ium-1-ylideneethylidene)indole;1,3,3-trimethyl-2-(2-pyrrolidin-1-ium-1-ylideneethylidene)indole is sourced from PubChem (CID 159347673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).