N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-ium-1-yl]acetamide Formula: C16H22N3OS+ MolecularWeight: 304.43038

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC([NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

C[C@@H]1CCC[C@H]([NH+]1CC(=O)NC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C16H21N3OS/c1-11-6-5-7-12(2)19(11)10-15(20)18-16-17-13-8-3-4-9-14(13)21-16/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,17,18,20)/p+1/t11-,12-/m1/s1