trimethyl-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethyl]azanium

Systemtic Name: trimethyl-[2-(7-oxidanylidenebenzo[a]phenalen-3-yl)sulfanylethyl]azanium Openeye Name: trimethyl-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylethyl]ammonium CAS Name: trimethyl-[2-[(7-oxo-3-benzo[a]phenalenyl)thio]ethyl]ammonium IUPAC Name: trimethyl-[2-(7-oxobenzo[a]phenalen-3-yl)sulfanylethyl]azanium Traditional Name: 2-[(7-ketobenzo[a]phenalen-3-yl)thio]ethyl-trimethyl-ammonium Formula: C22H22NOS+ MolecularWeight: 348.48118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

Isomeric SMILES

C[N+](C)(C)CCSC1=C2C=CC=C3C2=C(C=C1)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H22NOS/c1-23(2,3)13-14-25-20-12-11-16-15-7-4-5-8-17(15)22(24)19-10-6-9-18(20)21(16)19/h4-12H,13-14H2,1-3H3/q+1