[1-ethylsulfonyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-phenylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C26H27N2O3S+ MolecularWeight: 447.56918

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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=CC=C3C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC(=CC=C2)OC3=CC=CC=C3C4=CC=CC=C4

InChI

InChI=1S/C26H27N2O3S/c1-2-32(29,30)28(17-9-10-21(19-27)20-28)23-13-8-14-24(18-23)31-26-16-7-6-15-25(26)22-11-4-3-5-12-22/h3-16,18,20H,2,17,19,27H2,1H3/q+1