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

Systemtic Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)ethanamide Openeye Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide CAS Name: 2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]acetamide IUPAC Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)acetamide Traditional Name: 2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)acetamide Formula: C22H34N4O2S+2 MolecularWeight: 418.59596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

Isomeric SMILES

CC(C)(CNC(=O)C[NH+]1CCC(CC1)C2=NC3=CC=CC=C3S2)[NH+]4CCOCC4

InChI

InChI=1S/C22H32N4O2S/c1-22(2,26-11-13-28-14-12-26)16-23-20(27)15-25-9-7-17(8-10-25)21-24-18-5-3-4-6-19(18)29-21/h3-6,17H,7-16H2,1-2H3,(H,23,27)/p+2