3-(2-ethanoyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethyl-azanium chloride

Systemtic Name: 3-(2-ethanoyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethyl-azanium chloride Openeye Name: 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethyl-ammonium chloride CAS Name: 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylammonium chloride IUPAC Name: 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethylazanium chloride Traditional Name: 3-(2-acetyl-3-phenyl-2,3-dihydro-1,4-benzothiazin-4-yl)propyl-dimethyl-ammonium chloride Formula: C21H27ClN2OS MolecularWeight: 390.96988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(N(C2=CC=CC=C2S1)CCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

CC(=O)C1C(N(C2=CC=CC=C2S1)CCC[NH+](C)C)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H26N2OS.ClH/c1-16(24)21-20(17-10-5-4-6-11-17)23(15-9-14-22(2)3)18-12-7-8-13-19(18)25-21;/h4-8,10-13,20-21H,9,14-15H2,1-3H3;1H