[1-[4-(4-chloranylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine

Systemtic Name: [1-[4-(4-chloranylphenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-[4-(4-chlorophenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-[4-(4-chlorophenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-[4-(4-chlorophenoxy)phenyl]-1-ethylsulfonyl-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-[4-(4-chlorophenoxy)phenyl]-1-esyl-2H-pyridin-1-ium-6-yl]methylamine Formula: C20H22ClN2O3S+ MolecularWeight: 405.91828

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC=C1CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN2O3S/c1-2-27(24,25)23(14-4-3-5-18(23)15-22)17-8-12-20(13-9-17)26-19-10-6-16(21)7-11-19/h3-13H,2,14-15,22H2,1H3/q+1