bis(2-hydroxyethyl)-[(2S)-1-quinolin-8-ylsulfonylpropan-2-yl]azanium

Systemtic Name: bis(2-hydroxyethyl)-[(2S)-1-quinolin-8-ylsulfonylpropan-2-yl]azanium Openeye Name: bis(2-hydroxyethyl)-[(1S)-1-methyl-2-(8-quinolylsulfonyl)ethyl]ammonium CAS Name: bis(2-hydroxyethyl)-[(2S)-1-(8-quinolinylsulfonyl)propan-2-yl]ammonium IUPAC Name: bis(2-hydroxyethyl)-[(2S)-1-quinolin-8-ylsulfonylpropan-2-yl]azanium Traditional Name: bis(2-hydroxyethyl)-[(1S)-1-methyl-2-(8-quinolylsulfonyl)ethyl]ammonium Formula: C16H23N2O4S+ MolecularWeight: 339.42982

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS(=O)(=O)C1=CC=CC2=C1N=CC=C2)[NH+](CCO)CCO

Isomeric SMILES

C[C@@H](CS(=O)(=O)C1=CC=CC2=C1N=CC=C2)[NH+](CCO)CCO

InChI

InChI=1S/C16H22N2O4S/c1-13(18(8-10-19)9-11-20)12-23(21,22)15-6-2-4-14-5-3-7-17-16(14)15/h2-7,13,19-20H,8-12H2,1H3/p+1/t13-/m0/s1