methyl-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-dipropyl-azanium bromide

Systemtic Name: methyl-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)-dipropyl-azanium bromide Openeye Name: methyl-(2-oxo-2-phenothiazin-10-yl-ethyl)-dipropyl-ammonium bromide CAS Name: methyl-[2-oxo-2-(10-phenothiazinyl)ethyl]-dipropylammonium bromide IUPAC Name: methyl-(2-oxo-2-phenothiazin-10-ylethyl)-dipropylazanium bromide Traditional Name: (2-keto-2-phenothiazin-10-yl-ethyl)-methyl-dipropyl-ammonium bromide Formula: C21H27BrN2OS MolecularWeight: 435.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N2OS.BrH/c1-4-14-23(3,15-5-2)16-21(24)22-17-10-6-8-12-19(17)25-20-13-9-7-11-18(20)22;/h6-13H,4-5,14-16H2,1-3H3;1H/q+1;/p-1