2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: 2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]acetamide Formula: C23H24N3O4S+ MolecularWeight: 438.51936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCCC3C4=NC5=CC=CC=C5S4)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)C[NH+]3CCCC[C@H]3C4=NC5=CC=CC=C5S4)OCO2

InChI

InChI=1S/C23H23N3O4S/c1-14(27)15-10-19-20(30-13-29-19)11-17(15)24-22(28)12-26-9-5-4-7-18(26)23-25-16-6-2-3-8-21(16)31-23/h2-3,6,8,10-11,18H,4-5,7,9,12-13H2,1H3,(H,24,28)/p+1/t18-/m0/s1