3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenylcarbonyloxymethyl)azanium

Systemtic Name: 3-(2-chloranylphenothiazin-10-yl)propyl-dimethyl-(phenylcarbonyloxymethyl)azanium Openeye Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium CAS Name: benzoyloxymethyl-[3-(2-chloro-10-phenothiazinyl)propyl]-dimethylammonium IUPAC Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethylazanium Traditional Name: benzoyloxymethyl-[3-(2-chlorophenothiazin-10-yl)propyl]-dimethyl-ammonium Formula: C25H26ClN2O2S+ MolecularWeight: 454.00414

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

Isomeric SMILES

C[N+](C)(CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl)COC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26ClN2O2S/c1-28(2,18-30-25(29)19-9-4-3-5-10-19)16-8-15-27-21-11-6-7-12-23(21)31-24-14-13-20(26)17-22(24)27/h3-7,9-14,17H,8,15-16,18H2,1-2H3/q+1