3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]amino]propan-1-ol

Systemtic Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-ethenyl]amino]propan-1-ol Openeye Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanyl-vinyl]amino]propan-1-ol CAS Name: 3-[[(E)-2-(1-methyl-2-quinolin-1-iumyl)-1-(methylthio)ethenyl]amino]-1-propanol IUPAC Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-methylsulfanylethenyl]amino]propan-1-ol Traditional Name: 3-[[(E)-2-(1-methylquinolin-1-ium-2-yl)-1-(methylthio)vinyl]amino]propan-1-ol Formula: C16H21N2OS+ MolecularWeight: 289.41574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=C(NCCCO)SC

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C(\NCCCO)/SC

InChI

InChI=1S/C16H20N2OS/c1-18-14(12-16(20-2)17-10-5-11-19)9-8-13-6-3-4-7-15(13)18/h3-4,6-9,12,19H,5,10-11H2,1-2H3/p+1