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

Systemtic Name: 3-[[2-azanyl-4-methyl-9-(octadecylcarbamoyl)-3-oxidanylidene-phenoxazin-1-yl]carbonylamino]propyl-dimethyl-azanium Openeye Name: 3-[[2-amino-4-methyl-9-(octadecylcarbamoyl)-3-oxo-phenoxazine-1-carbonyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[2-amino-4-methyl-9-[(octadecylamino)-oxomethyl]-3-oxo-1-phenoxazinyl]-oxomethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[2-amino-4-methyl-9-(octadecylcarbamoyl)-3-oxophenoxazine-1-carbonyl]amino]propyl-dimethylazanium Traditional Name: 3-[[2-amino-3-keto-4-methyl-9-(stearylcarbamoyl)phenoxazine-1-carbonyl]amino]propyl-dimethyl-ammonium Formula: C38H60N5O4+ MolecularWeight: 650.9141

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2C(=CC=C1)OC3=C(C(=O)C(=C(C3=N2)C(=O)NCCC[NH+](C)C)N)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNC(=O)C1=C2C(=CC=C1)OC3=C(C(=O)C(=C(C3=N2)C(=O)NCCC[NH+](C)C)N)C

InChI

InChI=1S/C38H59N5O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-40-37(45)29-23-21-24-30-33(29)42-34-31(38(46)41-26-22-27-43(3)4)32(39)35(44)28(2)36(34)47-30/h21,23-24H,5-20,22,25-27,39H2,1-4H3,(H,40,45)(H,41,46)/p+1