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

Systemtic Name: methyl-[3-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)ethanoylamino]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]ammonium CAS Name: methyl-[3-[[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)ethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[2-(3-oxo-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]azanium Traditional Name: benzyl-[3-[[2-(3-keto-4H-1,4-benzothiazin-2-ylidene)acetyl]amino]propyl]-methyl-ammonium Formula: C21H24N3O2S+ MolecularWeight: 382.49916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2S/c1-24(15-16-8-3-2-4-9-16)13-7-12-22-20(25)14-19-21(26)23-17-10-5-6-11-18(17)27-19/h2-6,8-11,14H,7,12-13,15H2,1H3,(H,22,25)(H,23,26)/p+1