N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-2-pyridin-1-ium-4-ylsulfanyl-ethanamide

Systemtic Name: N-(4-methyl-2-piperidin-1-yl-quinolin-6-yl)-2-pyridin-1-ium-4-ylsulfanyl-ethanamide Openeye Name: N-[4-methyl-2-(1-piperidyl)-6-quinolyl]-2-pyridin-1-ium-4-ylsulfanyl-acetamide CAS Name: N-[4-methyl-2-(1-piperidinyl)-6-quinolinyl]-2-(4-pyridin-1-iumylthio)acetamide IUPAC Name: N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-2-pyridin-1-ium-4-ylsulfanylacetamide Traditional Name: N-(4-methyl-2-piperidino-6-quinolyl)-2-(pyridin-1-ium-4-ylthio)acetamide Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3)N4CCCCC4

Isomeric SMILES

CC1=CC(=NC2=C1C=C(C=C2)NC(=O)CSC3=CC=[NH+]C=C3)N4CCCCC4

InChI

InChI=1S/C22H24N4OS/c1-16-13-21(26-11-3-2-4-12-26)25-20-6-5-17(14-19(16)20)24-22(27)15-28-18-7-9-23-10-8-18/h5-10,13-14H,2-4,11-12,15H2,1H3,(H,24,27)/p+1