(2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide

Systemtic Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-(methylcarbamoyl)propanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-(methylcarbamoyl)propionamide Formula: C17H23N4O2S+ MolecularWeight: 347.45512

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S/c1-11(15(22)20-17(23)18-2)21-9-7-12(8-10-21)16-19-13-5-3-4-6-14(13)24-16/h3-6,11-12H,7-10H2,1-2H3,(H2,18,20,22,23)/p+1/t11-/m1/s1