2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[2-(1H-indol-3-yl)ethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CNC5=CC=CC=C54

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NCCC4=CNC5=CC=CC=C54

InChI

InChI=1S/C24H26N4OS/c29-23(25-12-9-18-15-26-20-6-2-1-5-19(18)20)16-28-13-10-17(11-14-28)24-27-21-7-3-4-8-22(21)30-24/h1-8,15,17,26H,9-14,16H2,(H,25,29)/p+1