(2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-2-(1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(1H-indol-3-yl)acetate Formula: C22H21N3O3 MolecularWeight: 375.42044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)C(C4=CNC5=CC=CC=C54)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)[C@H](C4=CNC5=CC=CC=C54)C(=O)[O-]

InChI

InChI=1S/C22H21N3O3/c26-22(27)20(16-13-23-17-6-2-1-5-15(16)17)25-11-9-14(10-12-25)21-24-18-7-3-4-8-19(18)28-21/h1-8,13-14,20,23H,9-12H2,(H,26,27)/t20-/m1/s1