2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methyl-butan-2-yl]ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(2R)-2-cyano-3-methylbutan-2-yl]acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[(1R)-1-cyano-1,2-dimethyl-propyl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-14(2)20(3,13-21)23-18(25)12-24-10-6-7-15(11-24)19-22-16-8-4-5-9-17(16)26-19/h4-5,8-9,14-15H,6-7,10-12H2,1-3H3,(H,23,25)/p+1/t15-,20-/m0/s1