2-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]ethyl-trimethyl-azanium

Systemtic Name: 2-[[9,10-bis(oxidanylidene)-4-(propan-2-ylamino)anthracen-1-yl]amino]ethyl-trimethyl-azanium Openeye Name: 2-[[4-(isopropylamino)-9,10-dioxo-1-anthryl]amino]ethyl-trimethyl-ammonium CAS Name: 2-[[9,10-dioxo-4-(propan-2-ylamino)-1-anthracenyl]amino]ethyl-trimethylammonium IUPAC Name: 2-[[9,10-dioxo-4-(propan-2-ylamino)anthracen-1-yl]amino]ethyl-trimethylazanium Traditional Name: 2-[[4-(isopropylamino)-9,10-diketo-1-anthryl]amino]ethyl-trimethyl-ammonium Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C2C(=C(C=C1)NCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)NC1=C2C(=C(C=C1)NCC[N+](C)(C)C)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H27N3O2/c1-14(2)24-18-11-10-17(23-12-13-25(3,4)5)19-20(18)22(27)16-9-7-6-8-15(16)21(19)26/h6-11,14H,12-13H2,1-5H3,(H-,23,24,26,27)/p+1