2-[1-[3-(2-methylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-[3-(2-methylphenoxy)-2-oxidanyl-propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Openeye Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid CAS Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]-4-pyridin-1-iumyl]ethanesulfonic acid IUPAC Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-4-yl]ethanesulfonic acid Traditional Name: 2-[1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyridin-1-ium-4-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=C(C=C2)CCS(=O)(=O)O)O

Isomeric SMILES

CC1=CC=CC=C1OCC(C[N+]2=CC=C(C=C2)CCS(=O)(=O)O)O

InChI

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