methyl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)-dipropyl-azanium bromide

Systemtic Name: methyl-(3-oxidanylidene-3-phenothiazin-10-yl-propyl)-dipropyl-azanium bromide Openeye Name: methyl-(3-oxo-3-phenothiazin-10-yl-propyl)-dipropyl-ammonium bromide CAS Name: methyl-[3-oxo-3-(10-phenothiazinyl)propyl]-dipropylammonium bromide IUPAC Name: methyl-(3-oxo-3-phenothiazin-10-ylpropyl)-dipropylazanium bromide Traditional Name: (3-keto-3-phenothiazin-10-yl-propyl)-methyl-dipropyl-ammonium bromide Formula: C22H29BrN2OS MolecularWeight: 449.44746

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+](C)(CCC)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-]

Isomeric SMILES

CCC[N+](C)(CCC)CCC(=O)N1C2=CC=CC=C2SC3=CC=CC=C31.[Br-]

InChI

InChI=1S/C22H29N2OS.BrH/c1-4-15-24(3,16-5-2)17-14-22(25)23-18-10-6-8-12-20(18)26-21-13-9-7-11-19(21)23;/h6-13H,4-5,14-17H2,1-3H3;1H/q+1;/p-1