2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(2,5-dimethyl-3-pyrazolyl)acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2,5-dimethylpyrazol-3-yl)acetamide Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

CC1=NN(C(=C1)NC(=O)C[NH+]2CCC(CC2)C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H23N5OS/c1-13-11-17(23(2)22-13)21-18(25)12-24-9-7-14(8-10-24)19-20-15-5-3-4-6-16(15)26-19/h3-6,11,14H,7-10,12H2,1-2H3,(H,21,25)/p+1