[1-methylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-methylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-methylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-methylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-methylsulfonyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-mesyl-1-[4-(4-nitrophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C19H20N3O5S+ MolecularWeight: 402.4442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N3O5S/c1-28(25,26)22(12-2-3-15(13-20)14-22)17-6-10-19(11-7-17)27-18-8-4-16(5-9-18)21(23)24/h2-11,14H,12-13,20H2,1H3/q+1