(2R)-2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-(6-benzyloxy-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-(6-phenylmethoxy-1H-indol-3-yl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-(6-phenylmethoxy-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-(6-benzoxy-1H-indol-3-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Formula: C26H27N4O3+ MolecularWeight: 443.51758

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=[NH+]5

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CNC3=C2C=CC(=C3)OCC4=CC=CC=C4)C(=O)[O-])C5=CC=CC=[NH+]5

InChI

InChI=1S/C26H26N4O3/c31-26(32)25(30-14-12-29(13-15-30)24-8-4-5-11-27-24)22-17-28-23-16-20(9-10-21(22)23)33-18-19-6-2-1-3-7-19/h1-11,16-17,25,28H,12-15,18H2,(H,31,32)/p+1/t25-/m1/s1