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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxo-ethyl]acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-methyl-N-[2-(methylamino)-2-oxoethyl]acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-[2-keto-2-(methylamino)ethyl]-N-methyl-acetamide Formula: C18H25N4O2S+ MolecularWeight: 361.4817

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O2S/c1-19-16(23)11-21(2)17(24)12-22-9-7-13(8-10-22)18-20-14-5-3-4-6-15(14)25-18/h3-6,13H,7-12H2,1-2H3,(H,19,23)/p+1