2-(4-methylquinolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[[1-(4-morpholin-4-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[(1-morpholin-4-ium-4-ylcyclohexyl)methyl]acetamide Formula: C23H32N3O2S+ MolecularWeight: 414.58408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC3(CCCCC3)[NH+]4CCOCC4

InChI

InChI=1S/C23H31N3O2S/c1-18-15-22(25-20-8-4-3-7-19(18)20)29-16-21(27)24-17-23(9-5-2-6-10-23)26-11-13-28-14-12-26/h3-4,7-8,15H,2,5-6,9-14,16-17H2,1H3,(H,24,27)/p+1