5-(phenylsulfanylmethyl)-7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate

Systemtic Name: 5-(phenylsulfanylmethyl)-7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate Openeye Name: 5-(phenylsulfanylmethyl)-7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate CAS Name: 5-[(phenylthio)methyl]-7-(1-piperidin-1-iumylmethyl)-8-quinolinolate IUPAC Name: 5-(phenylsulfanylmethyl)-7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate Traditional Name: 5-[(phenylthio)methyl]-7-(piperidin-1-ium-1-ylmethyl)quinolin-8-olate Formula: C22H24N2OS MolecularWeight: 364.50376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=C(C3=C(C=CC=N3)C(=C2)CSC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H24N2OS/c25-22-17(15-24-12-5-2-6-13-24)14-18(20-10-7-11-23-21(20)22)16-26-19-8-3-1-4-9-19/h1,3-4,7-11,14,25H,2,5-6,12-13,15-16H2