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

Systemtic Name: [1-ethylsulfonyl-1-[2-(3-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[2-(3-benzyloxyphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[2-(3-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[2-(3-phenylmethoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[2-(3-benzoxyphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C27H29N2O4S+ MolecularWeight: 477.59516

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC=C2OC3=CC(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=CC=C2OC3=CC(=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H29N2O4S/c1-2-34(30,31)29(17-9-12-23(19-28)20-29)26-15-6-7-16-27(26)33-25-14-8-13-24(18-25)32-21-22-10-4-3-5-11-22/h3-16,18,20H,2,17,19,21,28H2,1H3/q+1