2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-butyl-ethanamide Openeye Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-butyl-acetamide CAS Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-butylacetamide IUPAC Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-butylacetamide Traditional Name: 2-[(2R)-2-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-butyl-acetamide Formula: C18H26N3OS+ MolecularWeight: 332.48354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C[NH+]1CCCCC1C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)C[NH+]1CCCC[C@@H]1C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H25N3OS/c1-2-3-11-19-17(22)13-21-12-7-6-9-15(21)18-20-14-8-4-5-10-16(14)23-18/h4-5,8,10,15H,2-3,6-7,9,11-13H2,1H3,(H,19,22)/p+1/t15-/m1/s1