2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2-cyclopentyl-3-pyrazolyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide Formula: C22H28N5OS+ MolecularWeight: 410.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CCC(C1)N2C(=CC=N2)NC(=O)C[NH+]3CCC[C@@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H27N5OS/c28-21(25-20-11-12-23-27(20)17-7-1-2-8-17)15-26-13-5-6-16(14-26)22-24-18-9-3-4-10-19(18)29-22/h3-4,9-12,16-17H,1-2,5-8,13-15H2,(H,25,28)/p+1/t16-/m0/s1