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

Systemtic Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide CAS Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-N-(ethylcarbamoyl)acetamide IUPAC Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide Traditional Name: 2-[(3S)-3-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-N-(ethylcarbamoyl)acetamide Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C[NH+]1CCCC(C1)C2=NC3=CC=CC=C3O2

Isomeric SMILES

CCNC(=O)NC(=O)C[NH+]1CCC[C@@H](C1)C2=NC3=CC=CC=C3O2

InChI

InChI=1S/C17H22N4O3/c1-2-18-17(23)20-15(22)11-21-9-5-6-12(10-21)16-19-13-7-3-4-8-14(13)24-16/h3-4,7-8,12H,2,5-6,9-11H2,1H3,(H2,18,20,22,23)/p+1/t12-/m0/s1