2-[1-azanyl-9,10-bis(oxidanylidene)-4-phenylazanyl-anthracen-2-yl]sulfanylethyl-trimethyl-azanium

Systemtic Name: 2-[1-azanyl-9,10-bis(oxidanylidene)-4-phenylazanyl-anthracen-2-yl]sulfanylethyl-trimethyl-azanium Openeye Name: 2-[(1-amino-4-anilino-9,10-dioxo-2-anthryl)sulfanyl]ethyl-trimethyl-ammonium CAS Name: 2-[(1-amino-4-anilino-9,10-dioxo-2-anthracenyl)thio]ethyl-trimethylammonium IUPAC Name: 2-(1-amino-4-anilino-9,10-dioxoanthracen-2-yl)sulfanylethyl-trimethylazanium Traditional Name: 2-[(1-amino-4-anilino-9,10-diketo-2-anthryl)thio]ethyl-trimethyl-ammonium Formula: C25H26N3O2S+ MolecularWeight: 432.55784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCSC1=C(C2=C(C(=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N

Isomeric SMILES

C[N+](C)(C)CCSC1=C(C2=C(C(=C1)NC3=CC=CC=C3)C(=O)C4=CC=CC=C4C2=O)N

InChI

InChI=1S/C25H25N3O2S/c1-28(2,3)13-14-31-20-15-19(27-16-9-5-4-6-10-16)21-22(23(20)26)25(30)18-12-8-7-11-17(18)24(21)29/h4-12,15H,13-14H2,1-3H3,(H2-,26,27,29,30)/p+1