2,6-bis(chloranyl)-4-[[2-hydroxyethyl(thiophen-2-ylmethyl)azaniumyl]methyl]phenolate

Systemtic Name: 2,6-bis(chloranyl)-4-[[2-hydroxyethyl(thiophen-2-ylmethyl)azaniumyl]methyl]phenolate Openeye Name: 2,6-dichloro-4-[[2-hydroxyethyl(2-thienylmethyl)ammonio]methyl]phenolate CAS Name: 2,6-dichloro-4-[[2-hydroxyethyl(thiophen-2-ylmethyl)ammonio]methyl]phenolate IUPAC Name: 2,6-dichloro-4-[[2-hydroxyethyl(thiophen-2-ylmethyl)azaniumyl]methyl]phenolate Traditional Name: 2,6-dichloro-4-[[2-hydroxyethyl(2-thenyl)ammonio]methyl]phenolate Formula: C14H15Cl2NO2S MolecularWeight: 332.2454

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C[NH+](CCO)CC2=CC(=C(C(=C2)Cl)[O-])Cl

Isomeric SMILES

C1=CSC(=C1)C[NH+](CCO)CC2=CC(=C(C(=C2)Cl)[O-])Cl

InChI

InChI=1S/C14H15Cl2NO2S/c15-12-6-10(7-13(16)14(12)19)8-17(3-4-18)9-11-2-1-5-20-11/h1-2,5-7,18-19H,3-4,8-9H2