(phenylmethyl) (3S)-3-piperazin-4-ium-1-ylpyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S)-3-piperazin-4-ium-1-ylpyrrolidine-1-carboxylate Openeye Name: benzyl (3S)-3-piperazin-4-ium-1-ylpyrrolidine-1-carboxylate CAS Name: (3S)-3-(1-piperazin-4-iumyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-piperazin-4-ium-1-ylpyrrolidine-1-carboxylate Traditional Name: (3S)-3-piperazin-4-ium-1-ylpyrrolidine-1-carboxylic acid benzyl ester Formula: C16H24N3O2+ MolecularWeight: 290.38066

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1N2CC[NH2+]CC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@H]1N2CC[NH2+]CC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C16H23N3O2/c20-16(21-13-14-4-2-1-3-5-14)19-9-6-15(12-19)18-10-7-17-8-11-18/h1-5,15,17H,6-13H2/p+1/t15-/m0/s1