3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-octyl-azanium chloride

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-octyl-azanium chloride Openeye Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-octyl-ammonium chloride CAS Name: 3-(2-chloro-10-phenothiazinyl)propyl-dimethyl-octylammonium chloride IUPAC Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-octylazanium chloride Traditional Name: 3-(2-chlorophenothiazin-10-yl)propyl-dimethyl-octyl-ammonium chloride Formula: C25H36Cl2N2S MolecularWeight: 467.53774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

Isomeric SMILES

CCCCCCCC[N+](C)(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.[Cl-]

InChI

InChI=1S/C25H36ClN2S.ClH/c1-4-5-6-7-8-11-18-28(2,3)19-12-17-27-22-13-9-10-14-24(22)29-25-16-15-21(26)20-23(25)27;/h9-10,13-16,20H,4-8,11-12,17-19H2,1-3H3;1H/q+1;/p-1