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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-bromophenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-bromophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-bromophenyl)acetamide Formula: C20H21BrN3OS+ MolecularWeight: 431.36924

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4Br

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC=CC=C4Br

InChI

InChI=1S/C20H20BrN3OS/c21-15-5-1-2-6-16(15)22-19(25)13-24-11-9-14(10-12-24)20-23-17-7-3-4-8-18(17)26-20/h1-8,14H,9-13H2,(H,22,25)/p+1