2-acetamido-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-acetamido-N-[2-[1-(phenylmethyl)piperidin-1-ium-4-yl]ethyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-acetamido-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-acetamido-N-[2-[1-(phenylmethyl)-4-piperidin-1-iumyl]ethyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-acetamido-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-acetamido-N-[2-(1-benzylpiperidin-1-ium-4-yl)ethyl]-1,3-benzothiazole-6-carboxamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)NCCC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H28N4O2S/c1-17(29)26-24-27-21-8-7-20(15-22(21)31-24)23(30)25-12-9-18-10-13-28(14-11-18)16-19-5-3-2-4-6-19/h2-8,15,18H,9-14,16H2,1H3,(H,25,30)(H,26,27,29)/p+1