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

Systemtic Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C21H24N4O2 MolecularWeight: 364.44086

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=CC=CC=C32)C(=O)[O-])CCC4=CC=NC=C4

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=CC=CC=C32)C(=O)[O-])CCC4=CC=NC=C4

InChI

InChI=1S/C21H24N4O2/c26-21(27)20(18-15-23-19-4-2-1-3-17(18)19)25-13-11-24(12-14-25)10-7-16-5-8-22-9-6-16/h1-6,8-9,15,20,23H,7,10-14H2,(H,26,27)/t20-/m1/s1