(2R)-2-(6-bromanyl-1H-indol-3-yl)-2-(4-methanoylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(6-bromanyl-1H-indol-3-yl)-2-(4-methanoylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(4-formyl-1-piperazin-1-iumyl)acetate IUPAC Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(6-bromo-1H-indol-3-yl)-2-(4-formylpiperazin-1-ium-1-yl)acetate Formula: C15H16BrN3O3 MolecularWeight: 366.20984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O3/c16-10-1-2-11-12(8-17-13(11)7-10)14(15(21)22)19-5-3-18(9-20)4-6-19/h1-2,7-9,14,17H,3-6H2,(H,21,22)/t14-/m1/s1