2-hydroxyethyl(trimethyl)azanium; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide CAS Name: 2-hydroxyethyl(trimethyl)ammonium; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; N-(4-nitro-2-phenoxyphenyl)methanesulfonamide Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; N-(4-nitro-2-phenoxy-phenyl)methanesulfonamide Formula: C18H26N3O6S+ MolecularWeight: 412.48054

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCO.CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

Isomeric SMILES

C[N+](C)(C)CCO.CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OC2=CC=CC=C2

InChI

InChI=1S/C13H12N2O5S.C5H14NO/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11;1-6(2,3)4-5-7/h2-9,14H,1H3;7H,4-5H2,1-3H3/q;+1