[1-ethylsulfonyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-[(3-methoxyphenyl)methoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-(4-m-anisyloxyphenyl)-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O4S+ MolecularWeight: 415.52578

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OCC3=CC(=CC=C3)OC

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OCC3=CC(=CC=C3)OC

InChI

InChI=1S/C22H27N2O4S/c1-3-29(25,26)24(13-5-7-19(15-23)16-24)20-9-11-21(12-10-20)28-17-18-6-4-8-22(14-18)27-2/h4-12,14,16H,3,13,15,17,23H2,1-2H3/q+1