Basic information
- CAS
83950-01-0- Standard SMILES
CN(CCC#N)c1ccc(C=CC2=[N+](C)c3ccccc3C2(C)C)cc1.O=S(=O)([O-])[O-]- InChIKey
SMCZLJWHBOXGOO-UHFFFAOYSA-L- Molecular formula
- C23H26N3O4S-
- Average molar mass
- 440.5 g/mol
- Monoisotopic mass
- 440.16440249
Overview
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Names & identifiers
- Preferred name
- 3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate
- IUPAC
- 3-[N-methyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]anilino]propanenitrile sulfate
Names & synonyms
SMCZLJWHBOXGOO-UHFFFAOYSA-L
Database identifiers
- CAS
83950-01-0- PubChem CID
- 166279
Properties
Computed structural properties
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- -1
- Complexity
- 660
Related reactions
0 records
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Compound notes
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