[(3S)-3-[5-(hydroxymethyl)-2-oxidanyl-phenyl]-3-phenyl-propyl]-di(propan-2-yl)azanium

Systemtic Name: [(3S)-3-[5-(hydroxymethyl)-2-oxidanyl-phenyl]-3-phenyl-propyl]-di(propan-2-yl)azanium Openeye Name: [(3S)-3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenyl-propyl]-diisopropyl-ammonium CAS Name: [(3S)-3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenylpropyl]-di(propan-2-yl)ammonium IUPAC Name: [(3S)-3-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-phenylpropyl]-di(propan-2-yl)azanium Traditional Name: [(3S)-3-(2-hydroxy-5-methylol-phenyl)-3-phenyl-propyl]-diisopropyl-ammonium Formula: C22H32NO2+ MolecularWeight: 342.49498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+](CCC(C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C

Isomeric SMILES

CC(C)[NH+](CC[C@@H](C1=CC=CC=C1)C2=C(C=CC(=C2)CO)O)C(C)C

InChI

InChI=1S/C22H31NO2/c1-16(2)23(17(3)4)13-12-20(19-8-6-5-7-9-19)21-14-18(15-24)10-11-22(21)25/h5-11,14,16-17,20,24-25H,12-13,15H2,1-4H3/p+1/t20-/m0/s1