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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-pentan-3-yl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-pentan-3-ylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-pentan-3-ylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(1-ethylpropyl)acetamide Formula: C19H28N3OS+ MolecularWeight: 346.51012

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCC(CC)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H27N3OS/c1-3-15(4-2)20-18(23)13-22-11-9-14(10-12-22)19-21-16-7-5-6-8-17(16)24-19/h5-8,14-15H,3-4,9-13H2,1-2H3,(H,20,23)/p+1