[2-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-2-oxidanylidene-ethyl]-diethyl-azanium chloride

Systemtic Name: [2-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-2-oxidanylidene-ethyl]-diethyl-azanium chloride Openeye Name: [2-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-2-oxo-ethyl]-diethyl-ammonium chloride CAS Name: [2-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-2-oxoethyl]-diethylammonium chloride IUPAC Name: [2-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-2-oxoethyl]-diethylazanium chloride Traditional Name: [2-[2-(carbethoxyamino)phenothiazin-10-yl]-2-keto-ethyl]-diethyl-ammonium chloride Formula: C21H26ClN3O3S MolecularWeight: 435.96744

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(=O)N1C2=CC=CC=C2SC3=C1C=C(C=C3)NC(=O)OCC.[Cl-]

InChI

InChI=1S/C21H25N3O3S.ClH/c1-4-23(5-2)14-20(25)24-16-9-7-8-10-18(16)28-19-12-11-15(13-17(19)24)22-21(26)27-6-3;/h7-13H,4-6,14H2,1-3H3,(H,22,26);1H