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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl]-[2-(2-chloranylphenothiazin-10-yl)-2-oxidanylidene-ethyl]-methyl-azanium Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl]-[2-(2-chlorophenothiazin-10-yl)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(tert-butylamino)-2-oxoethyl]-[2-(2-chloro-10-phenothiazinyl)-2-oxoethyl]-methylammonium IUPAC Name: [2-(tert-butylamino)-2-oxoethyl]-[2-(2-chlorophenothiazin-10-yl)-2-oxoethyl]-methylazanium Traditional Name: [2-(tert-butylamino)-2-keto-ethyl]-[2-(2-chlorophenothiazin-10-yl)-2-keto-ethyl]-methyl-ammonium Formula: C21H25ClN3O2S+ MolecularWeight: 418.9601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O2S/c1-21(2,3)23-19(26)12-24(4)13-20(27)25-15-7-5-6-8-17(15)28-18-10-9-14(22)11-16(18)25/h5-11H,12-13H2,1-4H3,(H,23,26)/p+1