2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)ethanamide

Systemtic Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-[(cyclopropylamino)-oxomethyl]acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(cyclopropylcarbamoyl)acetamide Formula: C18H23N4O3+ MolecularWeight: 343.40022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC(=O)NC2CC2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC(=O)NC2CC2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C18H22N4O3/c23-16(21-18(24)19-13-7-8-13)11-22-9-3-4-12(10-22)17-20-14-5-1-2-6-15(14)25-17/h1-2,5-6,12-13H,3-4,7-11H2,(H2,19,21,23,24)/p+1/t12-/m0/s1