N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide

Systemtic Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanamide Openeye Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide CAS Name: N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide IUPAC Name: N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide Traditional Name: N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-3-(2-keto-1,3-benzoxazol-3-yl)propionamide Formula: C21H26N3O4+ MolecularWeight: 384.44884

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)CCN2C3=CC=CC=C3OC2=O)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)CCN2C3=CC=CC=C3OC2=O)C4=CC=CO4

InChI

InChI=1S/C21H25N3O4/c25-20(10-13-24-16-7-2-3-8-19(16)28-21(24)26)22-15-17(18-9-6-14-27-18)23-11-4-1-5-12-23/h2-3,6-9,14,17H,1,4-5,10-13,15H2,(H,22,25)/p+1/t17-/m0/s1