2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-N-methyl-ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxo-ethyl]-N-methyl-acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylacetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-(tert-butylamino)-2-keto-ethyl]-N-methyl-acetamide Formula: C21H31N4O2S+ MolecularWeight: 403.56144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O2S/c1-21(2,3)23-18(26)13-24(4)19(27)14-25-11-9-15(10-12-25)20-22-16-7-5-6-8-17(16)28-20/h5-8,15H,9-14H2,1-4H3,(H,23,26)/p+1