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

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

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C=C2C(=O)NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)CCNC(=O)C=C2C(=O)NC3=CC=CC=C3S2

InChI

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