Indole, 3-(2-(dimethylamino)ethyl)-, sulfosalicylate

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Basic information

CAS: 101831-88-3
Standard SMILES: C[NH+](C)CCc1c[nH]c2ccccc12.O=C(O)c1cc(S(=O)(=O)[O-])ccc1O
InChIKey: POLHLQAMMDFKSL-UHFFFAOYSA-N
Molecular formula: C19H22N2O6S
Average molar mass: 406.5 g/mol
Monoisotopic mass: 406.1198576

Names & identifiers

Preferred name: Indole, 3-(2-(dimethylamino)ethyl)-, sulfosalicylate
IUPAC: 3-carboxy-4-hydroxybenzenesulfonate;2-(1H-indol-3-yl)ethyl-dimethylazanium

Names & synonyms

3-(2-(Dimethylamino)ethyl)indole sulfosalicylateINDOLE, 3-(2-(DIMETHYLAMINO)ETHYL)-, SULFOSALICYLATE101831-88-3N,N-Dimethyl-beta-3-indolylethylamine sulfosalicylateDTXSID50144226RefChem:349214DTXCID80667172-(1H-Indol-3-yl)-N,N-dimethylethan-1-aminium 3-carboxy-4-hydroxybenzene-1-sulfonate

Database identifiers

CAS: 101831-88-3
PubChem CID: 58944
DTXSID: DTXSID50144226

Properties

Computed structural properties

Topological polar surface area: 143 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 28
Formal charge: 0
Complexity: 481

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Compound notes

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