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

Systemtic Name: 2-[1-[3-(2-methylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-2-yl]ethanesulfonic acid Openeye Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-2-yl]ethanesulfonic acid CAS Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]-2-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-2-yl]ethanesulfonic acid Traditional Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-2-yl]ethanesulfonic acid Formula: C17H22NO5S+ MolecularWeight: 352.42528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCC(C[N+]2=CC=CC=C2CCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+]2=CC=CC=C2CCS(=O)(=O)O)O

InChI

InChI=1S/C17H21NO5S/c1-14-6-2-3-8-17(14)23-13-16(19)12-18-10-5-4-7-15(18)9-11-24(20,21)22/h2-8,10,16,19H,9,11-13H2,1H3/p+1