(2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-4-ylethyl)piperazin-1-ium-1-yl]acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-[2-(4-pyridyl)ethyl]piperazin-1-ium-1-yl]acetate Formula: C28H30N4O3 MolecularWeight: 470.5628

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])CCC5=CC=NC=C5

InChI

InChI=1S/C28H30N4O3/c33-28(34)27(32-16-14-31(15-17-32)13-10-21-8-11-29-12-9-21)25-19-30-26-7-6-23(18-24(25)26)35-20-22-4-2-1-3-5-22/h1-9,11-12,18-19,27,30H,10,13-17,20H2,(H,33,34)/t27-/m1/s1