(2R)-2-(6-fluoranyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(6-fluoranyl-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C21H23FN4O2 MolecularWeight: 382.431323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)F)C(=O)[O-])CCC4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)F)C(=O)[O-])CCC4=CC=NC=C4

InChI

InChI=1S/C21H23FN4O2/c22-16-1-2-17-18(14-24-19(17)13-16)20(21(27)28)26-11-9-25(10-12-26)8-5-15-3-6-23-7-4-15/h1-4,6-7,13-14,20,24H,5,8-12H2,(H,27,28)/t20-/m1/s1