[1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[3-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H25N2O4S+ MolecularWeight: 413.5099

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

COC1=CC=CC=C1OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

InChI

InChI=1S/C22H25N2O4S/c1-27-21-9-2-3-10-22(21)28-19-8-4-7-18(14-19)24(29(25,26)20-11-12-20)13-5-6-17(15-23)16-24/h2-10,14,16,20H,11-13,15,23H2,1H3/q+1