1-azanyl-4-[2-(ethyl-methyl-sulfinato-azaniumyl)ethylamino]benzene; methyl hydrogen sulfate

Systemtic Name: 1-azanyl-4-[2-(ethyl-methyl-sulfinato-azaniumyl)ethylamino]benzene; methyl hydrogen sulfate Openeye Name: 1-amino-4-[2-(ethyl-methyl-sulfinato-ammonio)ethylamino]benzene; methyl hydrogen sulfate CAS Name: 1-amino-4-[2-(ethyl-methyl-sulfinatoammonio)ethylamino]benzene; sulfuric acid methyl ester IUPAC Name: 1-amino-4-[2-(ethyl-methyl-sulfinatoazaniumyl)ethylamino]benzene; methyl hydrogen sulfate Traditional Name: 1-amino-4-[2-(ethyl-methyl-sulfinato-ammonio)ethylamino]benzene; sulfuric acid methyl ester Formula: C12H23N3O6S2 MolecularWeight: 369.45752

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+](C)(CCNC1=CC=C(C=C1)N)S(=O)[O-].COS(=O)(=O)O

Isomeric SMILES

CC[N+](C)(CCNC1=CC=C(C=C1)N)S(=O)[O-].COS(=O)(=O)O

InChI

InChI=1S/C11H19N3O2S.CH4O4S/c1-3-14(2,17(15)16)9-8-13-11-6-4-10(12)5-7-11;1-5-6(2,3)4/h4-7,13H,3,8-9,12H2,1-2H3;1H3,(H,2,3,4)