2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide

Systemtic Name: 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)ethanamide Openeye Name: 2-[(4,7-dimethyl-2-quinolyl)sulfanyl]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide CAS Name: 2-[(4,7-dimethyl-2-quinolinyl)thio]-N-(1-ethyl-4-piperidin-1-iumyl)acetamide IUPAC Name: 2-(4,7-dimethylquinolin-2-yl)sulfanyl-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Traditional Name: 2-[(4,7-dimethyl-2-quinolyl)thio]-N-(1-ethylpiperidin-1-ium-4-yl)acetamide Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C(=C2)C

Isomeric SMILES

CC[NH+]1CCC(CC1)NC(=O)CSC2=NC3=C(C=CC(=C3)C)C(=C2)C

InChI

InChI=1S/C20H27N3OS/c1-4-23-9-7-16(8-10-23)21-19(24)13-25-20-12-15(3)17-6-5-14(2)11-18(17)22-20/h5-6,11-12,16H,4,7-10,13H2,1-3H3,(H,21,24)/p+1