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

Systemtic Name: furan-2-ylmethyl-[(2S)-2-oxidanyl-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium Openeye Name: 2-furylmethyl-[(2S)-2-hydroxy-3-[4-(1-methyl-1-phenyl-ethyl)phenoxy]propyl]-(2-thienylmethyl)ammonium CAS Name: 2-furanylmethyl-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)ammonium IUPAC Name: furan-2-ylmethyl-[(2S)-2-hydroxy-3-[4-(2-phenylpropan-2-yl)phenoxy]propyl]-(thiophen-2-ylmethyl)azanium Traditional Name: [(2S)-3-(4-cumylphenoxy)-2-hydroxy-propyl]-(2-furfuryl)-(2-thenyl)ammonium Formula: C28H32NO3S+ MolecularWeight: 462.62358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC(C[NH+](CC3=CC=CO3)CC4=CC=CS4)O

Isomeric SMILES

CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC[C@H](C[NH+](CC3=CC=CO3)CC4=CC=CS4)O

InChI

InChI=1S/C28H31NO3S/c1-28(2,22-8-4-3-5-9-22)23-12-14-25(15-13-23)32-21-24(30)18-29(19-26-10-6-16-31-26)20-27-11-7-17-33-27/h3-17,24,30H,18-21H2,1-2H3/p+1/t24-/m0/s1