2-(4-methylquinolin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]ethanamide Openeye Name: 2-[(4-methyl-2-quinolyl)sulfanyl]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[4-(4-morpholin-4-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-2-quinolyl)thio]-N-[4-(morpholin-4-ium-4-ylmethyl)phenyl]acetamide Formula: C23H26N3O2S+ MolecularWeight: 408.53644

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCOCC4

InChI

InChI=1S/C23H25N3O2S/c1-17-14-23(25-21-5-3-2-4-20(17)21)29-16-22(27)24-19-8-6-18(7-9-19)15-26-10-12-28-13-11-26/h2-9,14H,10-13,15-16H2,1H3,(H,24,27)/p+1