[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium

Systemtic Name: [2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-methyl-[2-oxidanylidene-2-(propylamino)ethyl]azanium Openeye Name: [2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium CAS Name: [2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]ammonium IUPAC Name: [2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-methyl-[2-oxo-2-(propylamino)ethyl]azanium Traditional Name: [2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-[2-keto-2-(propylamino)ethyl]-methyl-ammonium Formula: C20H23ClN3O2S+ MolecularWeight: 404.93352

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C[NH+](C)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

Isomeric SMILES

CCCNC(=O)C[NH+](C)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl

InChI

InChI=1S/C20H22ClN3O2S/c1-3-10-22-19(25)12-23(2)13-20(26)24-15-6-4-5-7-17(15)27-18-9-8-14(21)11-16(18)24/h4-9,11H,3,10,12-13H2,1-2H3,(H,22,25)/p+1