(phenylmethyl) N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-2-yl]-N-methyl-carbamate

Systemtic Name: (phenylmethyl) N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ium-1-yl-propan-2-yl]-N-methyl-carbamate Openeye Name: benzyl N-[(1S)-1-[(4-hydroxyphenyl)methyl]-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamate CAS Name: N-[(2S)-1-(4-hydroxyphenyl)-3-(1-pyrrolidin-1-iumyl)propan-2-yl]-N-methylcarbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S)-1-(4-hydroxyphenyl)-3-pyrrolidin-1-ium-1-ylpropan-2-yl]-N-methylcarbamate Traditional Name: N-[(1S)-1-(4-hydroxybenzyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-N-methyl-carbamic acid benzyl ester Formula: C22H29N2O3+ MolecularWeight: 369.47726

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CC1=CC=C(C=C1)O)C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CN([C@@H](CC1=CC=C(C=C1)O)C[NH+]2CCCC2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3/c1-23(22(26)27-17-19-7-3-2-4-8-19)20(16-24-13-5-6-14-24)15-18-9-11-21(25)12-10-18/h2-4,7-12,20,25H,5-6,13-17H2,1H3/p+1/t20-/m0/s1