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

Systemtic Name: [1-[3-(2-ethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[3-(2-ethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[3-(2-ethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[3-(2-ethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(2-ethylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

Isomeric SMILES

CCC1=CC=CC=C1OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

InChI

InChI=1S/C22H27N2O3S/c1-3-19-10-5-6-13-22(19)27-21-12-7-11-20(15-21)24(28(25,26)4-2)14-8-9-18(16-23)17-24/h5-13,15,17H,3-4,14,16,23H2,1-2H3/q+1