2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone

Systemtic Name: 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone Openeye Name: 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone CAS Name: 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone IUPAC Name: 2-[4-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone Traditional Name: 2-[4-[3-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenoxy]phenoxy]ethenone Formula: C22H23N2O5S+ MolecularWeight: 427.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=C(C=C3)OC=C=O

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=C(C=C3)OC=C=O

InChI

InChI=1S/C22H23N2O5S/c1-2-30(26,27)24(12-4-5-18(16-23)17-24)19-6-3-7-22(15-19)29-21-10-8-20(9-11-21)28-14-13-25/h3-11,14-15,17H,2,12,16,23H2,1H3/q+1