[9-(2,2-dimethylpropanoyloxy)-7-(4-methylpiperazin-1-yl)phenoxazin-3-ylidene]-dimethyl-azanium

Systemtic Name: [9-(2,2-dimethylpropanoyloxy)-7-(4-methylpiperazin-1-yl)phenoxazin-3-ylidene]-dimethyl-azanium Openeye Name: [9-(2,2-dimethylpropanoyloxy)-7-(4-methylpiperazin-1-yl)phenoxazin-3-ylidene]-dimethyl-ammonium CAS Name: [9-(2,2-dimethyl-1-oxopropoxy)-7-(4-methyl-1-piperazinyl)-3-phenoxazinylidene]-dimethylammonium IUPAC Name: [9-(2,2-dimethylpropanoyloxy)-7-(4-methylpiperazin-1-yl)phenoxazin-3-ylidene]-dimethylazanium Traditional Name: dimethyl-[7-(4-methylpiperazino)-9-pivaloyloxy-phenoxazin-3-ylidene]ammonium Formula: C24H31N4O3+ MolecularWeight: 423.52794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC(=CC2=C1N=C3C=CC(=[N+](C)C)C=C3O2)N4CCN(CC4)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC(=CC2=C1N=C3C=CC(=[N+](C)C)C=C3O2)N4CCN(CC4)C

InChI

InChI=1S/C24H31N4O3/c1-24(2,3)23(29)31-21-15-17(28-11-9-27(6)10-12-28)14-20-22(21)25-18-8-7-16(26(4)5)13-19(18)30-20/h7-8,13-15H,9-12H2,1-6H3/q+1