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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-iodanylphenyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(3-iodophenyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(3-iodophenyl)acetamide Formula: C20H21IN3OS+ MolecularWeight: 478.36971

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC(=CC=C4)I

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3S2)CC(=O)NC4=CC(=CC=C4)I

InChI

InChI=1S/C20H20IN3OS/c21-15-4-3-5-16(12-15)22-19(25)13-24-10-8-14(9-11-24)20-23-17-6-1-2-7-18(17)26-20/h1-7,12,14H,8-11,13H2,(H,22,25)/p+1