heptan-4-yl-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)azanium bromide

Systemtic Name: heptan-4-yl-(2-oxidanylidene-2-phenothiazin-10-yl-ethyl)azanium bromide Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl)-(1-propylbutyl)ammonium bromide CAS Name: heptan-4-yl-[2-oxo-2-(10-phenothiazinyl)ethyl]ammonium bromide IUPAC Name: heptan-4-yl-(2-oxo-2-phenothiazin-10-ylethyl)azanium bromide Traditional Name: (2-keto-2-phenothiazin-10-yl-ethyl)-(1-propylbutyl)ammonium bromide Formula: C21H27BrN2OS MolecularWeight: 435.42088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2OS.BrH/c1-3-9-16(10-4-2)22-15-21(24)23-17-11-5-7-13-19(17)25-20-14-8-6-12-18(20)23;/h5-8,11-14,16,22H,3-4,9-10,15H2,1-2H3;1H