[1-ethylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[4-(2-pyridinyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=N4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OC4=CC=CC=N4

InChI

InChI=1S/C25H26N3O4S/c1-2-33(29,30)28(17-5-6-20(18-26)19-28)21-8-10-22(11-9-21)31-23-12-14-24(15-13-23)32-25-7-3-4-16-27-25/h3-16,19H,2,17-18,26H2,1H3/q+1