2,4-bis(chloranyl)-6-[[[(1S)-1-thiophen-2-ylethyl]azaniumyl]methyl]phenolate

Systemtic Name: 2,4-bis(chloranyl)-6-[[[(1S)-1-thiophen-2-ylethyl]azaniumyl]methyl]phenolate Openeye Name: 2,4-dichloro-6-[[[(1S)-1-(2-thienyl)ethyl]ammonio]methyl]phenolate CAS Name: 2,4-dichloro-6-[[[(1S)-1-thiophen-2-ylethyl]ammonio]methyl]phenolate IUPAC Name: 2,4-dichloro-6-[[[(1S)-1-thiophen-2-ylethyl]azaniumyl]methyl]phenolate Traditional Name: 2,4-dichloro-6-[[[(1S)-1-(2-thienyl)ethyl]ammonio]methyl]phenolate Formula: C13H13Cl2NOS MolecularWeight: 302.21942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

Isomeric SMILES

C[C@@H](C1=CC=CS1)[NH2+]CC2=CC(=CC(=C2[O-])Cl)Cl

InChI

InChI=1S/C13H13Cl2NOS/c1-8(12-3-2-4-18-12)16-7-9-5-10(14)6-11(15)13(9)17/h2-6,8,16-17H,7H2,1H3/t8-/m0/s1