N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-quinolin-8-ylsulfanyl-ethanamide

Systemtic Name: N-[[1-(phenylmethyl)piperidin-1-ium-4-ylidene]amino]-2-quinolin-8-ylsulfanyl-ethanamide Openeye Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(8-quinolylsulfanyl)acetamide CAS Name: N-[[1-(phenylmethyl)-4-piperidin-1-iumylidene]amino]-2-(8-quinolinylthio)acetamide IUPAC Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-quinolin-8-ylsulfanylacetamide Traditional Name: N-[(1-benzylpiperidin-1-ium-4-ylidene)amino]-2-(8-quinolylthio)acetamide Formula: C23H25N4OS+ MolecularWeight: 405.5358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1=NNC(=O)CSC2=CC=CC3=C2N=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1=NNC(=O)CSC2=CC=CC3=C2N=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C23H24N4OS/c28-22(17-29-21-10-4-8-19-9-5-13-24-23(19)21)26-25-20-11-14-27(15-12-20)16-18-6-2-1-3-7-18/h1-10,13H,11-12,14-17H2,(H,26,28)/p+1