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

Systemtic Name: 2-hydroxyethyl(trimethyl)azanium; N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate Openeye Name: 2-hydroxyethyl(trimethyl)ammonium; N-methylsulfonyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate CAS Name: 2-hydroxyethyl(trimethyl)ammonium; N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate IUPAC Name: 2-hydroxyethyl(trimethyl)azanium; N-methylsulfonyl-N-(4-nitro-2-phenoxyphenyl)sulfamate Traditional Name: 2-hydroxyethyl(trimethyl)ammonium; N-mesyl-N-(4-nitro-2-phenoxy-phenyl)sulfamate Formula: C18H25N3O9S2 MolecularWeight: 491.5358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N2O8S2.C5H14NO/c1-24(18,19)15(25(20,21)22)12-8-7-10(14(16)17)9-13(12)23-11-5-3-2-4-6-11;1-6(2,3)4-5-7/h2-9H,1H3,(H,20,21,22);7H,4-5H2,1-3H3/q;+1/p-1