(2R)-2-(5-bromanyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(5-bromanyl-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(5-bromo-1H-indol-3-yl)-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetate Formula: C19H19BrN4O2 MolecularWeight: 415.28376

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)Br)C(=O)[O-])C4=CC=CC=N4

InChI

InChI=1S/C19H19BrN4O2/c20-13-4-5-16-14(11-13)15(12-22-16)18(19(25)26)24-9-7-23(8-10-24)17-3-1-2-6-21-17/h1-6,11-12,18,22H,7-10H2,(H,25,26)/t18-/m1/s1