(phenylmethyl) (2S)-2-(2-piperidin-1-ium-4-yloxyethyl)piperidine-1-carboxylate chloride

Systemtic Name: (phenylmethyl) (2S)-2-(2-piperidin-1-ium-4-yloxyethyl)piperidine-1-carboxylate chloride Openeye Name: benzyl (2S)-2-(2-piperidin-1-ium-4-yloxyethyl)piperidine-1-carboxylate chloride CAS Name: (2S)-2-[2-(4-piperidin-1-iumyloxy)ethyl]-1-piperidinecarboxylic acid (phenylmethyl) ester chloride IUPAC Name: benzyl (2S)-2-(2-piperidin-1-ium-4-yloxyethyl)piperidine-1-carboxylate chloride Traditional Name: (2S)-2-(2-piperidin-1-ium-4-yloxyethyl)piperidine-1-carboxylic acid benzyl ester chloride Formula: C20H31ClN2O3 MolecularWeight: 382.92474

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCOC2CC[NH2+]CC2)C(=O)OCC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCN([C@@H](C1)CCOC2CC[NH2+]CC2)C(=O)OCC3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C20H30N2O3.ClH/c23-20(25-16-17-6-2-1-3-7-17)22-14-5-4-8-18(22)11-15-24-19-9-12-21-13-10-19;/h1-3,6-7,18-19,21H,4-5,8-16H2;1H/t18-;/m0./s1