3-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-trimethyl-azanium

Systemtic Name: 3-[[4-azanyl-3-bromanyl-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl-trimethyl-azanium Openeye Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthryl)amino]propyl-trimethyl-ammonium CAS Name: 3-[(4-amino-3-bromo-9,10-dioxo-1-anthracenyl)amino]propyl-trimethylammonium IUPAC Name: 3-[(4-amino-3-bromo-9,10-dioxoanthracen-1-yl)amino]propyl-trimethylazanium Traditional Name: 3-[(4-amino-3-bromo-9,10-diketo-1-anthryl)amino]propyl-trimethyl-ammonium Formula: C20H23BrN3O2+ MolecularWeight: 417.31952

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br

Isomeric SMILES

C[N+](C)(C)CCCNC1=CC(=C(C2=C1C(=O)C3=CC=CC=C3C2=O)N)Br

InChI

InChI=1S/C20H22BrN3O2/c1-24(2,3)10-6-9-23-15-11-14(21)18(22)17-16(15)19(25)12-7-4-5-8-13(12)20(17)26/h4-5,7-8,11H,6,9-10H2,1-3H3,(H2-,22,23,25,26)/p+1