ethyl-methyl-[2-[(9-oxidanylidenethioxanthen-2-yl)methoxy]ethyl]-propyl-azanium

Systemtic Name: ethyl-methyl-[2-[(9-oxidanylidenethioxanthen-2-yl)methoxy]ethyl]-propyl-azanium Openeye Name: ethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]-propyl-ammonium CAS Name: ethyl-methyl-[2-[(9-oxo-2-thioxanthenyl)methoxy]ethyl]-propylammonium IUPAC Name: ethyl-methyl-[2-[(9-oxothioxanthen-2-yl)methoxy]ethyl]-propylazanium Traditional Name: ethyl-[2-[(9-ketothioxanthen-2-yl)methoxy]ethyl]-methyl-propyl-ammonium Formula: C22H28NO2S+ MolecularWeight: 370.52822

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CC)CCOCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCC[N+](C)(CC)CCOCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H28NO2S/c1-4-12-23(3,5-2)13-14-25-16-17-10-11-21-19(15-17)22(24)18-8-6-7-9-20(18)26-21/h6-11,15H,4-5,12-14,16H2,1-3H3/q+1