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

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methanamine Traditional Name: [1-esyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-6-yl]methylamine Formula: C20H22N3O5S+ MolecularWeight: 416.47078

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N3O5S/c1-2-29(26,27)23(14-4-3-5-18(23)15-21)17-8-12-20(13-9-17)28-19-10-6-16(7-11-19)22(24)25/h3-13H,2,14-15,21H2,1H3/q+1