furan-2-ylmethyl-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(phenylmethyl)azanium

Systemtic Name: furan-2-ylmethyl-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(phenylmethyl)azanium Openeye Name: benzyl-(2-furylmethyl)-[(2S)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]ammonium CAS Name: 2-furanylmethyl-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(furan-2-ylmethyl)-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]azanium Traditional Name: benzyl-[(2S)-3-(4-cumylphenoxy)-2-hydroxy-propyl]-(2-furfuryl)ammonium Formula: C30H34NO3+ MolecularWeight: 456.59586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH+](CC3=CC=CC=C3)CC4=CC=CO4)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH+](CC3=CC=CC=C3)CC4=CC=CO4)O

InChI

InChI=1S/C30H33NO3/c1-30(2,25-12-7-4-8-13-25)26-15-17-28(18-16-26)34-23-27(32)21-31(22-29-14-9-19-33-29)20-24-10-5-3-6-11-24/h3-19,27,32H,20-23H2,1-2H3/p+1/t27-/m0/s1