(2R)-2-(4-methanoylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate

Systemtic Name: (2R)-2-(4-methanoylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(4-formyl-1-piperazin-1-iumyl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate IUPAC Name: (2R)-2-(4-formylpiperazin-1-ium-1-yl)-2-(5-phenylmethoxy-1H-indol-3-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate Formula: C22H23N3O4 MolecularWeight: 393.43572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C=O

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C=O

InChI

InChI=1S/C22H23N3O4/c26-15-24-8-10-25(11-9-24)21(22(27)28)19-13-23-20-7-6-17(12-18(19)20)29-14-16-4-2-1-3-5-16/h1-7,12-13,15,21,23H,8-11,14H2,(H,27,28)/t21-/m1/s1