(2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoate

Systemtic Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanoate Openeye Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate CAS Name: (2R)-2-phenyl-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetate IUPAC Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Traditional Name: (2R)-2-phenyl-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetate Formula: C17H20N3O2+ MolecularWeight: 298.3596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C2=CC=CC=C2)C(=O)[O-])C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H19N3O2/c21-17(22)16(14-6-2-1-3-7-14)20-12-10-19(11-13-20)15-8-4-5-9-18-15/h1-9,16H,10-13H2,(H,21,22)/p+1/t16-/m1/s1