(2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-bromanyl-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-bromo-1H-indol-3-yl)acetate CAS Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)-1-piperidin-1-iumyl]-2-(5-bromo-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-bromo-1H-indol-3-yl)acetate Traditional Name: (2R)-2-[4-(1,3-benzoxazol-2-yl)piperidin-1-ium-1-yl]-2-(5-bromo-1H-indol-3-yl)acetate Formula: C22H20BrN3O3 MolecularWeight: 454.3165

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)C(C4=CNC5=C4C=C(C=C5)Br)C(=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1C2=NC3=CC=CC=C3O2)[C@H](C4=CNC5=C4C=C(C=C5)Br)C(=O)[O-]

InChI

InChI=1S/C22H20BrN3O3/c23-14-5-6-17-15(11-14)16(12-24-17)20(22(27)28)26-9-7-13(8-10-26)21-25-18-3-1-2-4-19(18)29-21/h1-6,11-13,20,24H,7-10H2,(H,27,28)/t20-/m1/s1