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

Systemtic Name: (2R)-N-aminocarbonyl-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-propanamide CAS Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]-N-carbamoylpropanamide IUPAC Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoylpropanamide Traditional Name: (2R)-2-[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]-N-carbamoyl-propionamide Formula: C16H21N4O2S+ MolecularWeight: 333.42854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O2S/c1-10(14(21)19-16(17)22)20-8-6-11(7-9-20)15-18-12-4-2-3-5-13(12)23-15/h2-5,10-11H,6-9H2,1H3,(H3,17,19,21,22)/p+1/t10-/m1/s1