[1-[4-(2,4-dimethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-[4-(2,4-dimethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-[4-(2,4-dimethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-[4-(2,4-dimethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-[4-(2,4-dimethylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-[4-(2,4-dimethylphenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H27N2O3S+ MolecularWeight: 399.52638

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C)C

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=C(C=C(C=C3)C)C

InChI

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