butyl-methyl-[2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl]azanium

Systemtic Name: butyl-methyl-[2-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]carbonylamino]ethyl]azanium Openeye Name: butyl-methyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]ammonium CAS Name: butyl-methyl-[2-[[oxo-[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]phenyl]methyl]amino]ethyl]ammonium IUPAC Name: butyl-methyl-[2-[[4-[(3-oxo-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]azanium Traditional Name: butyl-[2-[[4-[(3-keto-4H-1,4-benzothiazin-2-ylidene)methyl]benzoyl]amino]ethyl]-methyl-ammonium Formula: C23H28N3O2S+ MolecularWeight: 410.55232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O2S/c1-3-4-14-26(2)15-13-24-22(27)18-11-9-17(10-12-18)16-21-23(28)25-19-7-5-6-8-20(19)29-21/h5-12,16H,3-4,13-15H2,1-2H3,(H,24,27)(H,25,28)/p+1