Basic information
- CAS
41261-03-4- Standard SMILES
CN(CCCl)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1- InChIKey
VBYTYJCVXMXUBS-UHFFFAOYSA-N- Molecular formula
- C22H26ClN2+
- Average molar mass
- 353.9 g/mol
- Monoisotopic mass
- 353.1784515
Names & identifiers
- Preferred name
- CID 19286
- IUPAC
- N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
- English name
- 2-[2-[4-[(2-chloroethyl)methylamino] phenyl] ethenyl]-1,3,3-trimethyl-3H-Indolium
- Molecular formula
- C22H26ClN2+
- Molecular weight
- 353.91
Names & synonyms
41261-03-4N-(2-chloroethyl)-N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilineDTXSID10274634VBYTYJCVXMXUBS-UHFFFAOYSA-N2-(2-{4-[(2-Chloroethyl)(methyl)amino]phenyl}ethen-1-yl)-1,3,3-trimethyl-3H-indol-1-ium2-[2-[4-[(2-chloroethyl)methylamino] phenyl] ethenyl]-1,3,3-trimethyl-3H-Indolium1,3,3-Trimethyl-2-[4-[methyl(2-chloroethyl)amino]styryl]-3H-indole-1-ium2-[2-[4-[(2-Chloroethyl)methylamino]phenyl]ethenyl]-1,3,3-trimethyl-3H-indol-1-ium1,3,3-Trimethyl-2-[2-[4-[methyl(2-chloroethyl)amino]phenyl]ethenyl]-3H-indole-1-ium
Database identifiers
- CAS
41261-03-4- PubChem CID
- 19286
- DTXSID
DTXSID10274634
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 6.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 1
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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