4-(diethylamino)-N,N,1-triethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate

Systemtic Name: 4-(diethylamino)-N,N,1-triethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate Openeye Name: 4-(diethylamino)-N,N,1-triethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate CAS Name: 4-(diethylamino)-N,N,1-triethyl-3-quinolin-1-iumsulfonamide; ethyl sulfate IUPAC Name: 4-(diethylamino)-N,N,1-triethylquinolin-1-ium-3-sulfonamide; ethyl sulfate Traditional Name: 4-(diethylamino)-N,N,1-triethyl-quinolin-1-ium-3-sulfonamide; ethyl sulfate Formula: C21H35N3O6S2 MolecularWeight: 489.6491

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N3O2S.C2H6O4S/c1-6-20(7-2)19-16-13-11-12-14-17(16)21(8-3)15-18(19)25(23,24)22(9-4)10-5;1-2-6-7(3,4)5/h11-15H,6-10H2,1-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1