3-[[2-azanyl-9-(dodecylcarbamoyl)-4-methyl-3-oxidanylidene-phenoxazin-1-yl]carbonylamino]propyl-dimethyl-azanium chloride

Systemtic Name: 3-[[2-azanyl-9-(dodecylcarbamoyl)-4-methyl-3-oxidanylidene-phenoxazin-1-yl]carbonylamino]propyl-dimethyl-azanium chloride Openeye Name: 3-[[2-amino-9-(dodecylcarbamoyl)-4-methyl-3-oxo-phenoxazine-1-carbonyl]amino]propyl-dimethyl-ammonium chloride CAS Name: 3-[[[2-amino-9-[(dodecylamino)-oxomethyl]-4-methyl-3-oxo-1-phenoxazinyl]-oxomethyl]amino]propyl-dimethylammonium chloride IUPAC Name: 3-[[2-amino-9-(dodecylcarbamoyl)-4-methyl-3-oxophenoxazine-1-carbonyl]amino]propyl-dimethylazanium chloride Traditional Name: 3-[[2-amino-3-keto-9-(laurylcarbamoyl)-4-methyl-phenoxazine-1-carbonyl]amino]propyl-dimethyl-ammonium chloride Formula: C32H48ClN5O4 MolecularWeight: 602.20762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C2C(=CC=C1)OC3=C(C(=O)C(=C(C3=N2)C(=O)NCCC[NH+](C)C)N)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C2C(=CC=C1)OC3=C(C(=O)C(=C(C3=N2)C(=O)NCCC[NH+](C)C)N)C.[Cl-]

InChI

InChI=1S/C32H47N5O4.ClH/c1-5-6-7-8-9-10-11-12-13-14-19-34-31(39)23-17-15-18-24-27(23)36-28-25(32(40)35-20-16-21-37(3)4)26(33)29(38)22(2)30(28)41-24;/h15,17-18H,5-14,16,19-21,33H2,1-4H3,(H,34,39)(H,35,40);1H