4-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]piperazin-4-ium-2-one Formula: C18H17ClN3O2S+ MolecularWeight: 374.86448

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC(=O)N2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl

InChI

InChI=1S/C18H16ClN3O2S/c19-12-5-6-16-14(9-12)22(13-3-1-2-4-15(13)25-16)18(24)11-21-8-7-20-17(23)10-21/h1-6,9H,7-8,10-11H2,(H,20,23)/p+1