4-(dimethylamino)-1-ethyl-N,N-dimethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate

Systemtic Name: 4-(dimethylamino)-1-ethyl-N,N-dimethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate Openeye Name: 4-(dimethylamino)-1-ethyl-N,N-dimethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate CAS Name: 4-(dimethylamino)-1-ethyl-N,N-dimethyl-3-quinolin-1-iumsulfonamide; ethyl sulfate IUPAC Name: 4-(dimethylamino)-1-ethyl-N,N-dimethylquinolin-1-ium-3-sulfonamide; ethyl sulfate Traditional Name: 4-(dimethylamino)-1-ethyl-N,N-dimethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate Formula: C17H27N3O6S2 MolecularWeight: 433.54278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC(=C(C2=CC=CC=C21)N(C)C)S(=O)(=O)N(C)C.CCOS(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC(=C(C2=CC=CC=C21)N(C)C)S(=O)(=O)N(C)C.CCOS(=O)(=O)[O-]

InChI

InChI=1S/C15H22N3O2S.C2H6O4S/c1-6-18-11-14(21(19,20)17(4)5)15(16(2)3)12-9-7-8-10-13(12)18;1-2-6-7(3,4)5/h7-11H,6H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1