heptan-4-yl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)azanium bromide

Systemtic Name: heptan-4-yl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)azanium bromide Openeye Name: (3-oxo-3-phenothiazin-10-yl-propyl)-(1-propylbutyl)ammonium bromide CAS Name: heptan-4-yl-[3-oxo-3-(10-phenothiazinyl)propyl]ammonium bromide IUPAC Name: heptan-4-yl-(3-oxo-3-phenothiazin-10-ylpropyl)azanium bromide Traditional Name: (3-keto-3-phenothiazin-10-yl-propyl)-(1-propylbutyl)ammonium bromide Formula: C22H29BrN2OS MolecularWeight: 449.44746

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)[NH2+]CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-]

Isomeric SMILES

CCCC(CCC)[NH2+]CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-]

InChI

InChI=1S/C22H28N2OS.BrH/c1-3-9-17(10-4-2)23-16-15-22(25)24-18-11-5-7-13-20(18)26-21-14-8-6-12-19(21)24;/h5-8,11-14,17,23H,3-4,9-10,15-16H2,1-2H3;1H