(phenylmethyl) (2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carboxylate Openeye Name: benzyl (2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carboxylate CAS Name: (2S)-2-(1-pyrrolidin-1-iumylmethyl)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carboxylate Traditional Name: (2S)-2-(pyrrolidin-1-ium-1-ylmethyl)piperidine-1-carboxylic acid benzyl ester Formula: C18H27N2O2+ MolecularWeight: 303.41918

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCN([C@@H](C1)C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C18H26N2O2/c21-18(22-15-16-8-2-1-3-9-16)20-13-5-4-10-17(20)14-19-11-6-7-12-19/h1-3,8-9,17H,4-7,10-15H2/p+1/t17-/m0/s1