2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-(2-oxidanylidene-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide CAS Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-(2-oxo-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Traditional Name: 2-(2-keto-1,3-benzoxazol-3-yl)-N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]acetamide Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H25N3O3/c26-21(16-25-19-10-4-5-11-20(19)28-22(25)27)23-18-9-6-13-24(15-18)14-12-17-7-2-1-3-8-17/h1-5,7-8,10-11,18H,6,9,12-16H2,(H,23,26)/p+1/t18-/m0/s1