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

Systemtic Name: [1-propylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-propylsulfonyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-propylsulfonyl-1-[4-[4-(2-pyridinyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-propylsulfonyl-1-[4-(4-pyridin-2-yloxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-propylsulfonyl-1-[4-[4-(2-pyridyloxy)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H28N3O4S+ MolecularWeight: 478.58322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCS(=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/C26H28N3O4S/c1-2-18-34(30,31)29(17-5-6-21(19-27)20-29)22-8-10-23(11-9-22)32-24-12-14-25(15-13-24)33-26-7-3-4-16-28-26/h3-16,20H,2,17-19,27H2,1H3/q+1