N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]ethanamide Openeye Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide CAS Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-3-pyrazolyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]acetamide IUPAC Name: N-[2-(1,3-benzothiazol-2-yl)-5-methylpyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Traditional Name: N-[2-(1,3-benzothiazol-2-yl)-5-methyl-pyrazol-3-yl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]acetamide Formula: C19H24N5OS+ MolecularWeight: 370.49176

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC(=O)NC2=CC(=NN2C3=NC4=CC=CC=C4S3)C

InChI

InChI=1S/C19H23N5OS/c1-13-6-5-9-23(11-13)12-18(25)21-17-10-14(2)22-24(17)19-20-15-7-3-4-8-16(15)26-19/h3-4,7-8,10,13H,5-6,9,11-12H2,1-2H3,(H,21,25)/p+1/t13-/m0/s1