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

Systemtic Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-hexyl-ethanamide Openeye Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-hexyl-acetamide CAS Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-hexylacetamide IUPAC Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-hexylacetamide Traditional Name: 2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-hexyl-acetamide Formula: C20H30N3OS+ MolecularWeight: 360.5367

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCCCNC(=O)C[NH+]1CCC[C@H](C1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C20H29N3OS/c1-2-3-4-7-12-21-19(24)15-23-13-8-9-16(14-23)20-22-17-10-5-6-11-18(17)25-20/h5-6,10-11,16H,2-4,7-9,12-15H2,1H3,(H,21,24)/p+1/t16-/m1/s1