1-(3-methylsulfanyl-2-phenyl-inden-1-ylidene)piperidin-1-ium

Systemtic Name: 1-(3-methylsulfanyl-2-phenyl-inden-1-ylidene)piperidin-1-ium Openeye Name: 1-(3-methylsulfanyl-2-phenyl-inden-1-ylidene)piperidin-1-ium CAS Name: 1-[3-(methylthio)-2-phenyl-1-indenylidene]piperidin-1-ium IUPAC Name: 1-(3-methylsulfanyl-2-phenylinden-1-ylidene)piperidin-1-ium Traditional Name: 1-[3-(methylthio)-2-phenyl-inden-1-ylidene]piperidin-1-ium Formula: C21H22NS+ MolecularWeight: 320.47108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C(=[N+]2CCCCC2)C3=CC=CC=C31)C4=CC=CC=C4

Isomeric SMILES

CSC1=C(C(=[N+]2CCCCC2)C3=CC=CC=C31)C4=CC=CC=C4

InChI

InChI=1S/C21H22NS/c1-23-21-18-13-7-6-12-17(18)20(22-14-8-3-9-15-22)19(21)16-10-4-2-5-11-16/h2,4-7,10-13H,3,8-9,14-15H2,1H3/q+1