[3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium

Systemtic Name: [3-methoxy-4-[(2S)-2-oxidanyl-2-phenyl-ethoxy]phenyl]methyl-[(2R)-1-oxidanylbutan-2-yl]azanium Openeye Name: [(1R)-1-(hydroxymethyl)propyl]-[[4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-phenyl]methyl]ammonium CAS Name: [(2R)-1-hydroxybutan-2-yl]-[[4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]ammonium IUPAC Name: [(2R)-1-hydroxybutan-2-yl]-[[4-[(2S)-2-hydroxy-2-phenylethoxy]-3-methoxyphenyl]methyl]azanium Traditional Name: [4-[(2S)-2-hydroxy-2-phenyl-ethoxy]-3-methoxy-benzyl]-[(1R)-1-methylolpropyl]ammonium Formula: C20H28NO4+ MolecularWeight: 346.44062

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CO)[NH2+]CC1=CC(=C(C=C1)OCC(C2=CC=CC=C2)O)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-3-17(13-22)21-12-15-9-10-19(20(11-15)24-2)25-14-18(23)16-7-5-4-6-8-16/h4-11,17-18,21-23H,3,12-14H2,1-2H3/p+1/t17-,18-/m1/s1