2-(4-methylquinolin-2-yl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]acetamide Formula: C22H26N3O2S2+ MolecularWeight: 428.59074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C22H25N3O2S2/c1-16-13-22(24-18-6-3-2-5-17(16)18)29-15-21(26)23-14-19(20-7-4-12-28-20)25-8-10-27-11-9-25/h2-7,12-13,19H,8-11,14-15H2,1H3,(H,23,26)/p+1/t19-/m0/s1