3-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium

Systemtic Name: 3-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoylamino]propyl-(phenylmethyl)-propan-2-yl-azanium Openeye Name: benzyl-isopropyl-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]ammonium CAS Name: 3-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)ethyl]amino]propyl-(phenylmethyl)-propan-2-ylammonium IUPAC Name: benzyl-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]-propan-2-ylazanium Traditional Name: benzyl-isopropyl-[3-[[2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCCNC(=O)C=C1C(=O)NC2=CC=CC=C2S1)CC3=CC=CC=C3

Isomeric SMILES

CC(C)[NH+](CCCNC(=O)C=C1C(=O)NC2=CC=CC=C2S1)CC3=CC=CC=C3

InChI

InChI=1S/C23H27N3O2S/c1-17(2)26(16-18-9-4-3-5-10-18)14-8-13-24-22(27)15-21-23(28)25-19-11-6-7-12-20(19)29-21/h3-7,9-12,15,17H,8,13-14,16H2,1-2H3,(H,24,27)(H,25,28)/p+1