2-[(4-ethyl-3-oxidanylidene-1,4-benzothiazin-6-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium

Systemtic Name: 2-[(4-ethyl-3-oxidanylidene-1,4-benzothiazin-6-yl)carbonylamino]ethyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[(4-ethyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium CAS Name: 2-[[(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)-oxomethyl]amino]ethyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[(4-ethyl-3-oxo-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methylazanium Traditional Name: benzyl-[2-[(4-ethyl-3-keto-1,4-benzothiazine-6-carbonyl)amino]ethyl]-methyl-ammonium Formula: C21H26N3O2S+ MolecularWeight: 384.51504

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=O)CSC2=C1C=C(C=C2)C(=O)NCC[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S/c1-3-24-18-13-17(9-10-19(18)27-15-20(24)25)21(26)22-11-12-23(2)14-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,22,26)/p+1