[(2R)-1-(4-methoxyphenyl)propan-2-yl]-(phenylmethyl)azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(2R)-1-(4-methoxyphenyl)propan-2-yl]-(phenylmethyl)azanium; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: benzyl-[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]ammonium; (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetate; [(2R)-1-(4-methoxyphenyl)propan-2-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(2R)-1-(4-methoxyphenyl)propan-2-yl]azanium; (2S)-2-hydroxy-2-phenylacetate Traditional Name: benzyl-[(1R)-2-(4-methoxyphenyl)-1-methyl-ethyl]ammonium; (2S)-2-hydroxy-2-phenyl-acetate Formula: C25H29NO4 MolecularWeight: 407.50206

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)OC)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

C[C@H](CC1=CC=C(C=C1)OC)[NH2+]CC2=CC=CC=C2.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C17H21NO.C8H8O3/c1-14(18-13-16-6-4-3-5-7-16)12-15-8-10-17(19-2)11-9-15;9-7(8(10)11)6-4-2-1-3-5-6/h3-11,14,18H,12-13H2,1-2H3;1-5,7,9H,(H,10,11)/t14-;7-/m10/s1