Benzo[f]quinolinium, 3-(4-methoxyphenyl)-1,2,4-trimethyl-, iodide

HCID 12296331

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Basic information

CAS: 61430-49-7
Standard SMILES: COc1ccc(-c2c(C)c(C)c3c4ccccc4ccc3[n+]2C)cc1.[I-]
InChIKey: LRDRFJJPLUTBOT-UHFFFAOYSA-M
Molecular formula: C23H22INO
Average molar mass: 455.3 g/mol
Monoisotopic mass: 455.07461

Names & identifiers

Preferred name: Benzo[f]quinolinium, 3-(4-methoxyphenyl)-1,2,4-trimethyl-, iodide
IUPAC: 3-(4-methoxyphenyl)-1,2,4-trimethylbenzo[f]quinolin-4-ium iodide

Names & synonyms

61430-49-7Benzo[f]quinolinium, 3-(4-methoxyphenyl)-1,2,4-trimethyl-, iodideDTXSID404856353-(4-METHOXYPHENYL)-1,2,4-TRIMETHYLBENZO[F]QUINOLIN-4-IUM IODIDE

Database identifiers

CAS: 61430-49-7
PubChem CID: 12296331
DTXSID: DTXSID40485635

Properties

Computed structural properties

Topological polar surface area: 13.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 26
Formal charge: 0
Complexity: 443

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