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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[(2-methylpropylamino)-oxomethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methylpropylcarbamoyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(isobutylcarbamoyl)acetamide Formula: C19H27N4O2S+ MolecularWeight: 375.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H26N4O2S/c1-13(2)11-20-19(25)22-17(24)12-23-9-7-14(8-10-23)18-21-15-5-3-4-6-16(15)26-18/h3-6,13-14H,7-12H2,1-2H3,(H2,20,22,24,25)/p+1