butyl-methyl-[2-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]ethyl]azanium

Systemtic Name: butyl-methyl-[2-[2-[3-oxidanylidene-2-(phenylmethylidene)-1,4-benzothiazin-4-yl]ethanoylamino]ethyl]azanium Openeye Name: 2-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-butyl-methyl-ammonium CAS Name: butyl-methyl-[2-[[1-oxo-2-[3-oxo-2-(phenylmethylene)-1,4-benzothiazin-4-yl]ethyl]amino]ethyl]ammonium IUPAC Name: 2-[[2-(2-benzylidene-3-oxo-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-butyl-methylazanium Traditional Name: 2-[[2-(2-benzal-3-keto-1,4-benzothiazin-4-yl)acetyl]amino]ethyl-butyl-methyl-ammonium Formula: C24H30N3O2S+ MolecularWeight: 424.5789

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=CC=C3)C1=O

Isomeric SMILES

CCCC[NH+](C)CCNC(=O)CN1C2=CC=CC=C2SC(=CC3=CC=CC=C3)C1=O

InChI

InChI=1S/C24H29N3O2S/c1-3-4-15-26(2)16-14-25-23(28)18-27-20-12-8-9-13-21(20)30-22(24(27)29)17-19-10-6-5-7-11-19/h5-13,17H,3-4,14-16,18H2,1-2H3,(H,25,28)/p+1