(phenylmethyl) (3R)-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)piperazine-1-carboxylate

Systemtic Name: (phenylmethyl) (3R)-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)piperazine-1-carboxylate Openeye Name: benzyl (3R)-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)piperazine-1-carboxylate CAS Name: (3R)-4-methyl-3-(1-pyrrolidin-1-iumylmethyl)-1-piperazinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3R)-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)piperazine-1-carboxylate Traditional Name: (3R)-4-methyl-3-(pyrrolidin-1-ium-1-ylmethyl)piperazine-1-carboxylic acid benzyl ester Formula: C18H28N3O2+ MolecularWeight: 318.43382

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN1CCN(C[C@@H]1C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H27N3O2/c1-19-11-12-21(14-17(19)13-20-9-5-6-10-20)18(22)23-15-16-7-3-2-4-8-16/h2-4,7-8,17H,5-6,9-15H2,1H3/p+1/t17-/m0/s1