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

Systemtic Name: [1-methoxysulfonyloxy-3-[[4-(methylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]amino]propyl]-trimethyl-azanium Openeye Name: [1-methoxysulfonyloxy-3-[[4-(methylamino)-9,10-dioxo-1-anthryl]amino]propyl]-trimethyl-ammonium CAS Name: [1-methoxysulfonyloxy-3-[[4-(methylamino)-9,10-dioxo-1-anthracenyl]amino]propyl]-trimethylammonium IUPAC Name: [1-methoxysulfonyloxy-3-[[4-(methylamino)-9,10-dioxoanthracen-1-yl]amino]propyl]-trimethylazanium Traditional Name: [3-[[9,10-diketo-4-(methylamino)-1-anthryl]amino]-1-methoxysulfonyloxy-propyl]-trimethyl-ammonium Formula: C22H28N3O6S+ MolecularWeight: 462.53922

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C2C(=C(C=C1)NCCC([N+](C)(C)C)OS(=O)(=O)OC)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CNC1=C2C(=C(C=C1)NCCC([N+](C)(C)C)OS(=O)(=O)OC)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C22H27N3O6S/c1-23-16-10-11-17(24-13-12-18(25(2,3)4)31-32(28,29)30-5)20-19(16)21(26)14-8-6-7-9-15(14)22(20)27/h6-11,18H,12-13H2,1-5H3,(H-,23,24,26,27)/p+1