[1-cyclopropylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-(2-methoxyphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-(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=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)C4CC4

Isomeric SMILES

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

InChI

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