4-butyl-2-oxidanidyl-3-phenylsulfanyl-isoquinolin-2-ium

Systemtic Name: 4-butyl-2-oxidanidyl-3-phenylsulfanyl-isoquinolin-2-ium Openeye Name: 4-butyl-2-oxido-3-phenylsulfanyl-isoquinolin-2-ium CAS Name: 4-butyl-2-oxido-3-(phenylthio)isoquinolin-2-ium IUPAC Name: 4-butyl-2-oxido-3-phenylsulfanylisoquinolin-2-ium Traditional Name: 4-butyl-2-oxido-3-(phenylthio)isoquinolin-2-ium Formula: C19H19NOS MolecularWeight: 309.42526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])SC3=CC=CC=C3

Isomeric SMILES

CCCCC1=C([N+](=CC2=CC=CC=C21)[O-])SC3=CC=CC=C3

InChI

InChI=1S/C19H19NOS/c1-2-3-12-18-17-13-8-7-9-15(17)14-20(21)19(18)22-16-10-5-4-6-11-16/h4-11,13-14H,2-3,12H2,1H3