(phenylmethyl) N-methyl-N-[(2S)-1-oxidanyl-3-pyrrolidin-1-ium-1-yl-propan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-methyl-N-[(2S)-1-oxidanyl-3-pyrrolidin-1-ium-1-yl-propan-2-yl]carbamate Openeye Name: benzyl N-[(1S)-1-(hydroxymethyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate CAS Name: N-[(2S)-1-hydroxy-3-(1-pyrrolidin-1-iumyl)propan-2-yl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-hydroxy-3-pyrrolidin-1-ium-1-ylpropan-2-yl]-N-methylcarbamate Traditional Name: N-methyl-N-[(1S)-1-methylol-2-pyrrolidin-1-ium-1-yl-ethyl]carbamic acid benzyl ester Formula: C16H25N2O3+ MolecularWeight: 293.3813

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(C[NH+]1CCCC1)CO)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN([C@@H](C[NH+]1CCCC1)CO)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C16H24N2O3/c1-17(15(12-19)11-18-9-5-6-10-18)16(20)21-13-14-7-3-2-4-8-14/h2-4,7-8,15,19H,5-6,9-13H2,1H3/p+1/t15-/m0/s1