[1-methylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-methylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(4-benzyloxyphenoxy)phenyl]-1-methylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-methylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-methylsulfonyl-1-[4-(4-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(4-benzoxyphenoxy)phenyl]-1-mesyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H27N2O4S+ MolecularWeight: 463.56858

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H27N2O4S/c1-33(29,30)28(17-5-8-22(18-27)19-28)23-9-11-25(12-10-23)32-26-15-13-24(14-16-26)31-20-21-6-3-2-4-7-21/h2-16,19H,17-18,20,27H2,1H3/q+1