Indole, 1-(2-diethylaminoethyl)-3-(1-methyl-2-pyrrolidinyl)-, dihydrochloride

HCID 20937

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Basic information

CAS: 4802-61-3
Standard SMILES: CC[NH+](CC)CCn1cc(C2CCC[NH+]2C)c2ccccc21.[Cl-].[Cl-]
InChIKey: UIBCAPLKHMYITB-UHFFFAOYSA-N
Molecular formula: C19H31Cl2N3
Average molar mass: 372.4 g/mol
Monoisotopic mass: 371.1895034

Names & identifiers

Preferred name: Indole, 1-(2-diethylaminoethyl)-3-(1-methyl-2-pyrrolidinyl)-, dihydrochloride
IUPAC: diethyl-[2-[3-(1-methylpyrrolidin-1-ium-2-yl)indol-1-yl]ethyl]azanium dichloride

Names & synonyms

1-(2-Diethylaminoethyl)-3-(1-methyl-2-pyrrolidinyl)indole dihydrochloride4802-61-3INDOLE, 1-(2-DIETHYLAMINOETHYL)-3-(1-METHYL-2-PYRROLIDINYL)-, DIHYDROCHLORIDERefChem:349133

Database identifiers

CAS: 4802-61-3
PubChem CID: 20937

Properties

Computed structural properties

Topological polar surface area: 13.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 342

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