(phenylmethyl) (3R)-3-phenylpiperazin-4-ium-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-3-phenylpiperazin-4-ium-1-carboxylate Openeye Name: benzyl (3R)-3-phenylpiperazin-4-ium-1-carboxylate CAS Name: (3R)-3-phenyl-1-piperazin-4-iumcarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-3-phenylpiperazin-4-ium-1-carboxylate Traditional Name: (3R)-3-phenylpiperazin-4-ium-1-carboxylic acid benzyl ester Formula: C18H21N2O2+ MolecularWeight: 297.37154

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC([NH2+]1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]([NH2+]1)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H20N2O2/c21-18(22-14-15-7-3-1-4-8-15)20-12-11-19-17(13-20)16-9-5-2-6-10-16/h1-10,17,19H,11-14H2/p+1/t17-/m0/s1