10-((1-Carboxy-3-methylbutylidene)amino)-9-hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate (salt)
Basic information
- CAS
89702-39-6- Standard SMILES
CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c2c1[nH]c1ccc(O)c(N=C(CC(C)C)C(=O)O)c12- InChIKey
XUQVUVDPSOPZOH-UHFFFAOYSA-N- Molecular formula
- C26H29N3O5
- Average molar mass
- 463.5 g/mol
- Monoisotopic mass
- 463.21072103
Names & identifiers
- Preferred name
- 10-((1-Carboxy-3-methylbutylidene)amino)-9-hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate (salt)
- IUPAC
- 2-[(9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazol-2-ium-10-yl)imino]-4-methylpentanoic acid acetate
Names & synonyms
10-((1-Carboxy-3-methylbutylidene)amino)-9-hydroxy-2,5,11-trimethyl-6H-pyrido(4,3-b)carbazolium acetate (salt)89702-39-66H-Pyrido(4,3-b)carbazolium, 10-((1-carboxy-3-methylbutylidene)amino)-9-hydroxy-2,5,11-trimethyl-, acetate (salt)
Database identifiers
- CAS
89702-39-6- PubChem CID
- 5491002
Properties
Computed structural properties
- Topological polar surface area
- 130 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 706
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Compound notes
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