butanoate; [(2S)-4-(4-hydroxyphenyl)butan-2-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium

Systemtic Name: butanoate; [(2S)-4-(4-hydroxyphenyl)butan-2-yl]-[(2R)-2-oxidanyl-2-phenyl-ethyl]azanium Openeye Name: butanoate; [(2R)-2-hydroxy-2-phenyl-ethyl]-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium CAS Name: butanoate; [(2S)-4-(4-hydroxyphenyl)butan-2-yl]-[(2R)-2-hydroxy-2-phenylethyl]ammonium IUPAC Name: butanoate; [(2S)-4-(4-hydroxyphenyl)butan-2-yl]-[(2R)-2-hydroxy-2-phenylethyl]azanium Traditional Name: butyrate; [(2R)-2-hydroxy-2-phenyl-ethyl]-[(1S)-3-(4-hydroxyphenyl)-1-methyl-propyl]ammonium Formula: C22H31NO4 MolecularWeight: 373.48584

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)[O-].CC(CCC1=CC=C(C=C1)O)[NH2+]CC(C2=CC=CC=C2)O

Isomeric SMILES

CCCC(=O)[O-].C[C@@H](CCC1=CC=C(C=C1)O)[NH2+]C[C@@H](C2=CC=CC=C2)O

InChI

InChI=1S/C18H23NO2.C4H8O2/c1-14(7-8-15-9-11-17(20)12-10-15)19-13-18(21)16-5-3-2-4-6-16;1-2-3-4(5)6/h2-6,9-12,14,18-21H,7-8,13H2,1H3;2-3H2,1H3,(H,5,6)/t14-,18-;/m0./s1