2-(4-methylquinolin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-(4-methylquinolin-2-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethanamide Openeye Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-methyl-2-quinolyl)sulfanyl]acetamide CAS Name: 2-[(4-methyl-2-quinolinyl)thio]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-(4-methylquinolin-2-yl)sulfanylacetamide Traditional Name: N-(1-benzylpiperidin-1-ium-4-yl)-2-[(4-methyl-2-quinolyl)thio]acetamide Formula: C24H28N3OS+ MolecularWeight: 406.56362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H27N3OS/c1-18-15-24(26-22-10-6-5-9-21(18)22)29-17-23(28)25-20-11-13-27(14-12-20)16-19-7-3-2-4-8-19/h2-10,15,20H,11-14,16-17H2,1H3,(H,25,28)/p+1