[3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]-diethyl-azanium chloride

Systemtic Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxidanylidene-propyl]-diethyl-azanium chloride Openeye Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxo-propyl]-diethyl-ammonium chloride CAS Name: [3-[2-(ethoxycarbonylamino)-10-phenothiazinyl]-3-oxopropyl]-diethylammonium chloride IUPAC Name: [3-[2-(ethoxycarbonylamino)phenothiazin-10-yl]-3-oxopropyl]-diethylazanium chloride Traditional Name: [3-[2-(carbethoxyamino)phenothiazin-10-yl]-3-keto-propyl]-diethyl-ammonium chloride Formula: C22H28ClN3O3S MolecularWeight: 449.99402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S.ClH/c1-4-24(5-2)14-13-21(26)25-17-9-7-8-10-19(17)29-20-12-11-16(15-18(20)25)23-22(27)28-6-3;/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,27);1H