2-[1-[(2S)-3-(2-chloranylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-2-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[(2S)-3-(2-chloranylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-2-yl]ethanesulfonic acid Openeye Name: 2-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxy-propyl]pyridin-1-ium-2-yl]ethanesulfonic acid CAS Name: 2-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]-2-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxypropyl]pyridin-1-ium-2-yl]ethanesulfonic acid Traditional Name: 2-[1-[(2S)-3-(2-chlorophenoxy)-2-hydroxy-propyl]pyridin-1-ium-2-yl]ethanesulfonic acid Formula: C16H19ClNO5S+ MolecularWeight: 372.84376

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OCC(C[N+]2=CC=CC=C2CCS(=O)(=O)O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OC[C@H](C[N+]2=CC=CC=C2CCS(=O)(=O)O)O)Cl

InChI

InChI=1S/C16H18ClNO5S/c17-15-6-1-2-7-16(15)23-12-14(19)11-18-9-4-3-5-13(18)8-10-24(20,21)22/h1-7,9,14,19H,8,10-12H2/p+1/t14-/m0/s1