2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[4-(5-chloranyl-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propan-2-yl-ethanamide Openeye Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-acetamide CAS Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-propan-2-ylacetamide IUPAC Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-propan-2-ylacetamide Traditional Name: 2-[4-(5-chloro-1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-isopropyl-acetamide Formula: C17H23ClN3OS+ MolecularWeight: 352.90202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=C(S2)C=CC(=C3)Cl

Isomeric SMILES

CC(C)NC(=O)C[NH+]1CCC(CC1)C2=NC3=C(S2)C=CC(=C3)Cl

InChI

InChI=1S/C17H22ClN3OS/c1-11(2)19-16(22)10-21-7-5-12(6-8-21)17-20-14-9-13(18)3-4-15(14)23-17/h3-4,9,11-12H,5-8,10H2,1-2H3,(H,19,22)/p+1