2-(3,8-dimethylquinolin-2-yl)sulfanylethyl-diethyl-azanium

Systemtic Name: 2-(3,8-dimethylquinolin-2-yl)sulfanylethyl-diethyl-azanium Openeye Name: 2-[(3,8-dimethyl-2-quinolyl)sulfanyl]ethyl-diethyl-ammonium CAS Name: 2-[(3,8-dimethyl-2-quinolinyl)thio]ethyl-diethylammonium IUPAC Name: 2-(3,8-dimethylquinolin-2-yl)sulfanylethyl-diethylazanium Traditional Name: 2-[(3,8-dimethyl-2-quinolyl)thio]ethyl-diethyl-ammonium Formula: C17H25N2S+ MolecularWeight: 289.4588

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCSC1=C(C=C2C=CC=C(C2=N1)C)C

Isomeric SMILES

CC[NH+](CC)CCSC1=C(C=C2C=CC=C(C2=N1)C)C

InChI

InChI=1S/C17H24N2S/c1-5-19(6-2)10-11-20-17-14(4)12-15-9-7-8-13(3)16(15)18-17/h7-9,12H,5-6,10-11H2,1-4H3/p+1