(2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(5-benzyloxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(5-phenylmethoxy-1H-indol-3-yl)-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(5-benzoxy-1H-indol-3-yl)-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetate Formula: C25H25N5O3 MolecularWeight: 443.4977

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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-])C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=C(C=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=NC=CC=N5

InChI

InChI=1S/C25H25N5O3/c31-24(32)23(29-11-13-30(14-12-29)25-26-9-4-10-27-25)21-16-28-22-8-7-19(15-20(21)22)33-17-18-5-2-1-3-6-18/h1-10,15-16,23,28H,11-14,17H2,(H,31,32)/t23-/m1/s1